generator: cti2yaml cantera-version: 2.6.0a4 date: Sun, 16 Jan 2022 14:22:29 -0500 input-files: [galway.cti] units: {length: cm, quantity: mol, activation-energy: cal/mol} phases: - name: gas thermo: ideal-gas elements: [C, H, N, O, Ar, He] species: [AR, N2, HE, H2, H, O2, O, H2O, OH, OHV, H2O2, HO2, CO, CO2, HOCO, CH4, CH3, CH2, CH2(S), C, CH, CHV, CH3O2H, CH3O2, CH2O2H, CH3OH, CH3O, CH2OH, CH2O, HCO, HCOH, HO2CHO, HOCH2O2H, HOCH2O2, OCH2O2H, HOCH2O, O2CHO, HOCHO, OCHO, C2H6, C2H5, C2H5O2H, C2H5O2, C2H4, C2H3, CHOCHO, C2H3OOH, C2H3OO, CHCHO, C2H2, C2H, H2CC, C2H5OH, C2H5O, PC2H4OH, SC2H4OH, O2C2H4OH, C2H4O2H, C2H4O1-2, C2H3O1-2, CH3CHO, CH3CO, CH2CHO, O2CH2CHO, HO2CH2CO, C2H3OH, C2H2OH, CH2CO, HCCO, HCCOH, CH3CO3H, CH3CO3, CH3CO2, CH3OCH3, CH3OCH2, CH3OCH2O2H, CH3OCH2O2, CH2OCH2O2H, O2CH2OCH2O2H, HO2CH2OCHO, OCH2OCHO, HOCH2OCO, CH3OCH2O, CH3OCHO, CH3OCO, CH2OCHO, C3H8, IC3H7, NC3H7, NC3H7O2H, NC3H7O2, IC3H7O2H, IC3H7O2, NC3H7O, IC3H7O, C3H6OOH1-2, C3H6OOH1-3, C3H6OOH2-1, C3H6OOH1-2O2, C3H6OOH1-3O2, C3H6OOH2-1O2, C3KET12, C3KET13, 'C3H51-2,3OOH', 'C3H52-1,3OOH', C3H5O1-2OOH-3, C3H5O1-3OOH-2, C3H6O1-2, C3H6O1-3, C3H6, C3H5-A, C3H5-S, C3H5-T, CC3H6, C3H5O, CH2CHOCH2, CH3CHCHO, AC4H7OOH, C3H6OH1-2, CH3CHCO, AC3H5OOH, C3H6OH2-1, HOC3H6O2, SC3H5OH, IC3H5OH, C3H5OH, CH2CCH2OH, C3H4-P, C3H4-A, C3H3, CC3H4, C3H2, H2CCC(S), C3H2(S), C3H2C, PC3H4OH-2, SC3H4OH, C3H3O, C3H3O2H, C2HCHO, C2H5CHO, C2H5CO, CH2CH2CHO, C2H3CHO, C2H3CO, CH3COCH3, CH3COCH2, CH3COCH2O2, CH3COCH2O, C3KET21, C4H10, PC4H9, SC4H9, PC4H9O, SC4H9O, PC4H9O2, SC4H9O2, PC4H9O2H, SC4H9O2H, C4H8OOH1-2, C4H8OOH1-3, C4H8OOH1-4, C4H8OOH2-1, C4H8OOH2-3, C4H8OOH2-4, C4H8O1-2, C4H8O1-3, C4H8O1-4, C4H8O2-3, C4H8OOH1-2O2, C4H8OOH1-3O2, C4H8OOH1-4O2, C4H8OOH2-1O2, C4H8OOH2-3O2, C4H8OOH2-4O2, 'C4H71-2,4OOH', 'C4H72-1,3OOH', 'C4H72-1,4OOH', 'C4H71-2,3OOH', C4H7O1-3OOH-4, C4H7O1-3OOH-2, C4H7O1-2OOH-4, C4H7O1-4OOH-2, C4H7O1-2OOH-3, C4H7O2-3OOH-1, C4H72-1OOH, NC4KET12, NC4KET13, NC4KET14, NC4KET21, NC4KET23, NC4KET24, C4H71-3OOH, 'C4H71-3,4OOH', 'C4H72-3,4OOH', HO2CH2CHO, IC4H10, IC4H9, TC4H9, TC4H9O, IC4H9O, IC4H8O, IC3H7CHO, IC3H7CO, IC3H6CHO, TC3H6CHO, IC3H5CHO, TC3H6O2CHO, IC3H5O2HCHO, TC3H6O2HCO, TC3H6OCHO, IC3H6CO, IC3H5CO, IC3H4CHO-A, SC4H7OH-I, IC4H9O2, TC4H9O2, IC4H8O2H-I, IC4H8O2H-T, TC4H8O2H-I, CC4H8O, IC4H8OOH-IO2, IC4H8OOH-TO2, TC4H8OOH-IO2, IC4KETII, IC4KETIT, TIC4H7Q2-I, IIC4H7Q2-I, IIC4H7Q2-T, IC4H7OOH, IC4H9O2H, TC4H9O2H, IC4H8, IC4H7, IC4H7-I1, IC4H7O2, IC4H6OOH-I, CCYCCOOC-T1, C2CYCOOC-I1, IC4H7O, CVCYCCOC, CCYC2OCO, CCYCCOOC-I2, CHOIC3H6O, IC3H5OOCH2, CCYCCO-T1, IC4H8OH-IT, IC4H8OH-TI, IC4H7OH, IC4H8OH, IC4H6OH, TQJC4H8OH, TQC4H8OI, QC4H7OHP, TQC4H7OHI, CCY(CCO)COH, C2CY(COC)OH, IQJC4H8OH, IC3H6OHCHO, IQC4H8OT, IQC4H7OHT, CCY(CCOC)OH, CH2COHCH2OOH, TC3H6OH, TQC4H7OHIO2, TQC4H7OHTO2, TQC4H7OHIQ-I, TQC4H7OHIQ-P, IC3H5COHQ, CH2CQCOHQ, IC3H5Q, COHQCYC(COC), QCYC(CCOC)OH, HOCOCQ(CH3)2, IQC4H7OHTO2, IQC4H8OTQ-I, IQC4H7OHTQ-P, CHOC(CH3)OHCH2Q, CO(CH2OOH)2, CH3COCHO, IC3H5OCH2, IC4H7OOCH3, IC4H7OOIC4H7, C4H8-1, C4H8-2, C4H71-1, C4H71-2, C4H71-3, C4H71-4, C4H72-2, C4H71-O, PC4H8OH-2, SC4H8OH-1, SC4H8OH-3, C4H71-3OH, C4H71-4OH, C4H71-1OH, C4H71-2OH, C4H72-1OH, C4H72-2OH, SQC4H8OP, PQC4H8OS, PQC4H7OHS-3, NC4KET12OH, SQC4H7OHS-4, SQC4H8OS, NC4KET23OH, SC4H8OH-3O2, CCY(COCC)OH, C4H7O2-1, C4H6-1, AC3H5OCH2, SC3H5OCH2-1, 'C8H141-5,3-4', 'C8H141-5,3', C8H142-6, 'C8H131-5,3-4,TA', 'C8H131-5,3,TA', 'C8H131-5,3,SA', 'C8H131-5,3,PA', 'C8H132-6,SA', 'C8H132-6,PA', 'C6H101-3,3', 'C8H131-5,3-4,TAO', 'C8H131-5,3,TAO', 'C8H131-5,3,SAO', 'C8H131-5,3,PAO', 'C8H132-6,SAO', 'C8H132-6,PAO', 'C7H111-5,3,6P', 'C7H111-5,1P', 'C4H64,2-1OH', 'C4H63,1-1OH', 'C4H63,1-3OH', 'C4H63,1-2OH', C4H5OH-13, SQC4H7OHP-4, CY(CCCO)COH, NC4KET21OH, C2H5CHOHCO, CH3COCOHCH3, C2H4COCH2OH, CH3COHCO, CH2COHCHO, SQC4H7OHP-4O2, PQC4H7OHS-3O2, SQC4H7OHS-4O2, 'C4H7O2-1,3OOH', NC4KET13OH-2, NC4KET24OH-1, NC4KET24OH-3, C4H6OHOOH1-4-3, C4H6OHOOH2-2-1, C4H6OHOOH1-3-4, C4H6OHOOH1-2-3, HOCH2CHO, C4H71-4OOH, C4H71-4O2, C4H61-3OOH4, C4H6O1-3OOH4, C4H6O2-1OOH4, HOCH2COCH2, HOCH2CO, HOCHCHO, PC3H4OH-3, PC3H4OH-1, CH3COCHOH, SC2H2OH, PC4H8OH-1, PC4H8OH-3, C4H7O1-4, PC4H8OH-4, SC4H8OH-2, CH2COHCO, C4H72-2O2, C4H71-1O2, C4H71-2O2, C3H6OH1-1, PC4H8OH-2O2, SC4H8OH-1O2, C4H71-3OOCH3, C4H72-1OOCH3, C4H6, C4H612, C4H6-2, C4H5-I, C4H5-N, C4H5-2, C4H4, C4H3-I, C4H3-N, C4H2, C4H6O25, C2H3CHOCH2, C4H4O, C4H6O23, CH2CHCHCHO, H2C4O, NC3H7CHO, NC3H7CO, C3H6CHO-1, C3H6CHO-2, C3H6CHO-3, SC3H5CHO, SC3H5CO, C2H5COCH3, C2H5COCH2, CH2CH2COCH3, CH3CHCOCH3, C2H3COCH3, CH3CHOOCOCH3, CH2CHOOHCOCH3, C2H5CHCO, NC5H12, C5H11-1, C5H11-2, C5H11-3, C5H11O2H-1, C5H11O2H-2, C5H11O2H-3, C5H11O2-1, C5H11O2-2, C5H11O2-3, C5H11O-1, C5H11O-2, C5H11O-3, C5H10OOH1-2, C5H10OOH1-3, C5H10OOH1-4, C5H10OOH1-5, C5H10OOH2-1, C5H10OOH2-3, C5H10OOH2-4, C5H10OOH2-5, C5H10OOH3-1, C5H10OOH3-2, C5H10O1-2, C5H10O1-3, C5H10O1-4, C5H10O1-5, C5H10O2-3, C5H10O2-4, C5H10OOH1-2O2, C5H10OOH1-3O2, C5H10OOH1-4O2, C5H10OOH1-5O2, C5H10OOH2-1O2, C5H10OOH2-3O2, C5H10OOH2-4O2, C5H10OOH2-5O2, C5H10OOH3-1O2, C5H10OOH3-2O2, 'C5H91-2,3OOH', 'C5H91-2,4OOH', 'C5H91-2,5OOH', 'C5H91-3,4OOH', 'C5H91-3,5OOH', 'C5H91-4,5OOH', 'C5H92-1,3OOH', 'C5H92-1,4OOH', 'C5H92-1,5OOH', 'C5H92-3,4OOH', 'C5H92-3,5OOH', 'C5H92-4,5OOH', 'C5H93-1,2OOH', 'C5H93-1,4OOH', 'C5H93-1,5OOH', 'C5H93-2,4OOH', C5H91-3OOH, C5H91-4OOH, C5H91-5OOH, C5H92-1OOH, C5H92-4OOH, C5H92-5OOH, C5H9O1-2OOH-3, C5H9O1-2OOH-4, C5H9O1-2OOH-5, C5H9O1-3OOH-2, C5H9O1-3OOH-4, C5H9O1-3OOH-5, C5H9O1-4OOH-2, C5H9O1-4OOH-3, C5H9O1-4OOH-5, C5H9O1-5OOH-2, C5H9O1-5OOH-3, C5H9O2-3OOH-1, C5H9O2-3OOH-4, C5H9O2-3OOH-5, C5H9O2-4OOH-1, C5H9O2-4OOH-3, C5H9O1-2O-5, CH2CH2OCH2CH2CHO, NC5KET12, NC5KET13, NC5KET14, NC5KET15, NC5KET21, NC5KET23, NC5KET24, NC5KET25, NC5KET31, NC5KET32, NC5KET12O, NC5KET13O, NC5KET14O, NC5KET15O, NC5KET21O, NC5KET23O, NC5KET24O, NC5KET25O, NC5KET31O, NC5KET32O, NC5DIONE13, NC5DIONE24, C5H10OH23, O2C5H10OH23, OCH2CHO, CH2OCH2CHO, C2H4OCHO, C5H10OOH1-3OH, C5H10OOH2-4OH, C5H10OOH3-1OH, NC5CYCPER13, NC5CYCPER24, NC5CYCPER31, IC5H12, AC5H11, BC5H11, CC5H11, DC5H11, AC5H9O-A2, AC5H11O2H, BC5H11O2H, CC5H11O2H, DC5H11O2H, AC5H11O2, BC5H11O2, CC5H11O2, DC5H11O2, AC5H11O, BC5H11O, CC5H11O, DC5H11O, AC5H10OOH-A, AC5H10OOH-B, AC5H10OOH-C, AC5H10OOH-D, BC5H10OOH-A, BC5H10OOH-C, BC5H10OOH-D, CC5H10OOH-A, CC5H10OOH-B, CC5H10OOH-D, DC5H10OOH-A, DC5H10OOH-B, DC5H10OOH-C, A-AC5H10O, A-BC5H10O, A-CC5H10O, A-DC5H10O, B-CC5H10O, B-DC5H10O, C-DC5H10O, AC5H10OOH-AO2, AC5H10OOH-BO2, AC5H10OOH-CO2, AC5H10OOH-DO2, BC5H10OOH-AO2, BC5H10OOH-CO2, BC5H10OOH-DO2, CC5H10OOH-AO2, CC5H10OOH-BO2, CC5H10OOH-DO2, DC5H10OOH-AO2, DC5H10OOH-BO2, DC5H10OOH-CO2, 'C5H9A-A,BOOH', 'C5H9A-A,COOH', 'C5H9A-A,DOOH', 'C5H9A-B,COOH', 'C5H9A-B,DOOH', 'C5H9A-C,DOOH', 'C5H9B-A,AOOH', 'C5H9B-A,COOH', 'C5H9B-A,DOOH', 'C5H9B-C,DOOH', 'C5H9C-A,AOOH', 'C5H9C-A,BOOH', 'C5H9C-A,DOOH', 'C5H9C-B,DOOH', 'C5H9D-A,AOOH', 'C5H9D-A,BOOH', 'C5H9D-A,COOH', 'C5H9D-B,COOH', C5H9A-AOOH, C5H9A-COOH, C5H9A-DOOH, C5H9B-AOOH, C5H9B-DOOH, C5H9C-AOOH, C5H9C-BOOH, C5H9OA-AOOH-B, C5H9OA-AOOH-C, C5H9OA-AOOH-D, C5H9OA-BOOH-A, C5H9OA-BOOH-C, C5H9OA-BOOH-D, C5H9OA-COOH-A, C5H9OA-COOH-B, C5H9OA-COOH-D, C5H9OA-DOOH-A, C5H9OA-DOOH-B, C5H9OA-DOOH-C, C5H9OB-COOH-A, C5H9OB-COOH-D, C5H9OB-DOOH-A, C5H9OB-DOOH-C, C5H9OC-DOOH-A, C5H9OC-DOOH-B, CH3COCH2OCH2CH2, IC5KETAA, IC5KETAB, IC5KETAC, IC5KETAD, IC5KETCA, IC5KETCB, IC5KETCD, IC5KETDA, IC5KETDB, IC5KETDC, IC5KETAAO, IC5KETABO, IC5KETACO, IC5KETADO, IC5KETCAO, IC5KETCBO, IC5KETCDO, IC5KETDAO, IC5KETDBO, IC5KETDCO, AC5H10OH, BC5H10OH, CC5H10OH, AO2C5H10OH, BO2C5H10OH, CO2C5H10OH, IC3H5COCH3, IC3H5COCH2, AC3H4COCH3, NEOC5H12, NEOC5H11, NEOC5H11O2H, NEOC5H11O2, NEOC5H11O, NEOC5H10OOH, NEO-C5H10O, NEOC5H10OOH-O2, NEOC5H9Q2, NEOC5KET, NEOC5KETOX, NEOC5KEJOL, IC4H6Q2-II, NEOC5H9O-OOH, C5H10-1, C5H10-2, C5H81-3, C5H91-3, C5H91-4, C5H91-5, C5H92-4, C5H92-5, C5H9O1-3, C5H9O2-4, BC5H10, CC5H10, CC5H9-A, CC5H9-B, AC5H9O-C, CC5H9O-B, AC5H10, AC5H9-A2, AC5H9-C, AC5H9-D, B2E2M1OJ, B13DE2M, B13DE2MJ, B12DE3M, B2E3M1OJ, TC4H8CHO, O2C4H8CHO, O2HC4H8CO, PC4H8CHO-1O2, PC4H8CHO-2O2, PC4H8CHO-3O2, PC4H8CHO-4O2, C4H7CHO-2, C4H7CHO-3, C4H7CHO-4, NC3H7COCH3, C2H5COC2H5, NC3H7COCH2, CH3CH2CHCOCH3, CH3CHCH2COCH3, CH2CH2CH2COCH3, CH2CH2COC2H5, CH3CHCOC2H5, NC52ONEO2-3, NC52ONEO2-4, NC52ONEO2-5, NC53ONEO2-1, NC53ONEO2-2, NC52ONE-3, NC52ONE-4, NC53ONE-1, NC5H11OH, C5H10OH11, C5H10OH12, C5H10OH13, C5H10OH14, C5H10OH15, C5H10OH-1O2, C5H10OH-2O2, C5H10OH-3O2, C5H10OH-4O2, C5H10OH-5O2, C5H9OH1-1, C5H9OH1-2, C5H9OH1-3, C5H9OH1-4, NC6H14, C6H13-1, C6H13-2, C6H13-3, C6H13OOH-1, C6H13OOH-2, C6H13OOH-3, C6H13O2-1, C6H13O2-2, C6H13O2-3, C6H13O-1, C6H13O-2, C6H13O-3, C6H12OOH1-2, C6H12OOH1-3, C6H12OOH1-4, C6H12OOH1-5, C6H12OOH2-1, C6H12OOH2-3, C6H12OOH2-4, C6H12OOH2-5, C6H12OOH2-6, C6H12OOH3-1, C6H12OOH3-2, C6H12OOH3-4, C6H12OOH3-5, C6H12OOH3-6, C6H12O1-2, C6H12O1-3, C6H12O1-4, C6H12O1-5, C6H12O2-3, C6H12O2-4, C6H12O2-5, C6H12O3-4, C6H12OOH1-2O2, C6H12OOH1-3O2, C6H12OOH1-4O2, C6H12OOH1-5O2, C6H12OOH2-1O2, C6H12OOH2-3O2, C6H12OOH2-4O2, C6H12OOH2-5O2, C6H12OOH2-6O2, C6H12OOH3-1O2, C6H12OOH3-2O2, C6H12OOH3-4O2, C6H12OOH3-5O2, C6H12OOH3-6O2, C6H11-1D3OOH, C6H11-1D4OOH, C6H11-1D5OOH, C6H11-1D6OOH, C6H11-2D1OOH, C6H11-2D4OOH, C6H11-2D5OOH, C6H11-2D6OOH, C6H11-3D1OOH, C6H11-3D2OOH, C6H11Q12-3, C6H11Q12-4, C6H11Q12-5, C6H11Q12-6, C6H11Q13-2, C6H11Q13-4, C6H11Q13-5, C6H11Q13-6, C6H11Q14-2, C6H11Q14-3, C6H11Q14-5, C6H11Q14-6, C6H11Q15-2, C6H11Q15-3, C6H11Q15-4, C6H11Q15-6, C6H11Q23-1, C6H11Q23-4, C6H11Q23-5, C6H11Q23-6, C6H11Q24-1, C6H11Q24-3, C6H11Q24-5, C6H11Q24-6, C6H11Q25-1, C6H11Q25-3, C6H11Q34-1, C6H11Q34-2, C6KET12, C6KET13, C6KET14, C6KET15, C6KET21, C6KET23, C6KET24, C6KET25, C6KET26, C6KET31, C6KET32, C6KET34, C6KET35, C6KET36, C5H91-1, C6H11O12-3OOH, C6H11O12-4OOH, C6H11O12-5OOH, C6H11O12-6OOH, C6H11O13-2OOH, C6H11O13-4OOH, C6H11O13-5OOH, C6H11O13-6OOH, C6H11O14-2OOH, C6H11O14-3OOH, C6H11O14-5OOH, C6H11O14-6OOH, C6H11O15-2OOH, C6H11O15-3OOH, C6H11O15-4OOH, C6H11O15-6OOH, C6H11O23-1OOH, C6H11O23-4OOH, C6H11O23-5OOH, C6H11O23-6OOH, C6H11O24-1OOH, C6H11O24-3OOH, C6H11O24-5OOH, C6H11O24-6OOH, C6H11O25-1OOH, C6H11O25-3OOH, C6H11O34-1OOH, C6H11O34-2OOH, C4H7O12-4, C4H7O13-4, C4H7O23-1, C5H9O12-5, C5H9O13-5, C5H9O14-5, C5H9O23-1, C5H9O23-5, C5H9O24-1, AC3H5CHO, PC4H9CO, C6KET12O, C6KET13O, C6KET14O, C6KET15O, C6KET21O, C6KET23O, C6KET24O, C6KET25O, C6KET26O, C6KET31O, C6KET32O, C6KET34O, C6KET35O, C6KET36O, C6H12OOH1-2O, C6H12OOH1-3O, C6H12OOH1-4O, C6H12OOH1-5O, C6H12OOH2-1O, C6H12OOH2-3O, C6H12OOH2-4O, C6H12OOH2-5O, C6H12OOH2-6O, C6H12OOH3-1O, C6H12OOH3-2O, C6H12OOH3-4O, C6H12OOH3-5O, C6H12OOH3-6O, NC5H11CHO, C6Y2, CH3COOH, C2H5COOH, C6H12-1, C6H12-2, C6H12-3, C6H111-3, C6H111-4, C6H111-5, C6H111-6, C6H112-4, C6H112-5, C6H112-6, C6H113-1, C6H12OH-1J2, C6H12OH-2J1, C6H12OH-2J3, C6H12OH-3J2, C6H12OH-3J4, C6H12OH-1O2-2, C6H12OH-2O2-1, C6H12OH-2O2-3, C6H12OH-3O2-2, C6H12OH-3O2-4, PC4H9CHO, PC4H8CHO-1, PC4H8CHO-2, PC4H8CHO-3, PC4H8CHO-4, C6H11-1D3O, C6H11-1D4O, C6H11-1D5O, C6H11-1D6O, C6H11-2D1O, C6H11-2D4O, C6H11-2D5O, C6H11-2D6O, C6H11-3D1O, C6H11-3D2O, NC5H11CO, NC5H10CHO-1, NC5H10CHO-2, NC5H10CHO-3, NC5H10CHO-4, NC5H10CHO-5, C6H10D13, C6H10D24, C6H101-5, C6H9-A, NC7H16, C7H15-1, C7H15-2, C7H15-3, C7H15-4, C7H15OOH-1, C7H15OOH-2, C7H15OOH-3, C7H15OOH-4, C7H15-1O2, C7H15-2O2, C7H15-3O2, C7H15-4O2, C7H15-1O, C7H15-2O, C7H15-3O, C7H15-4O, C7H14OOH1-2, C7H14OOH1-3, C7H14OOH1-4, C7H14OOH1-5, C7H14OOH2-1, C7H14OOH2-3, C7H14OOH2-4, C7H14OOH2-5, C7H14OOH2-6, C7H14OOH3-1, C7H14OOH3-2, C7H14OOH3-4, C7H14OOH3-5, C7H14OOH3-6, C7H14OOH3-7, C7H14OOH4-1, C7H14OOH4-2, C7H14OOH4-3, C7H14O1-2, C7H14O1-3, C7H14O1-4, C7H14O1-5, C7H14O2-3, C7H14O2-4, C7H14O2-5, C7H14O2-6, C7H14O3-4, C7H14O3-5, C7H14OOH1-2O2, C7H14OOH1-3O2, C7H14OOH1-4O2, C7H14OOH1-5O2, C7H14OOH2-1O2, C7H14OOH2-3O2, C7H14OOH2-4O2, C7H14OOH2-5O2, C7H14OOH2-6O2, C7H14OOH3-1O2, C7H14OOH3-2O2, C7H14OOH3-4O2, C7H14OOH3-5O2, C7H14OOH3-6O2, C7H14OOH3-7O2, C7H14OOH4-1O2, C7H14OOH4-2O2, C7H14OOH4-3O2, C7H13Q12-3, C7H13Q12-4, C7H13Q12-5, C7H13Q12-6, C7H13Q13-2, C7H13Q13-4, C7H13Q13-5, C7H13Q13-6, C7H13Q13-7, C7H13Q14-2, C7H13Q14-3, C7H13Q14-5, C7H13Q14-6, C7H13Q14-7, C7H13Q15-2, C7H13Q15-3, C7H13Q15-4, C7H13Q15-6, C7H13Q15-7, C7H13Q23-1, C7H13Q23-4, C7H13Q23-5, C7H13Q23-6, C7H13Q23-7, C7H13Q24-1, C7H13Q24-3, C7H13Q24-5, C7H13Q24-6, C7H13Q24-7, C7H13Q25-1, C7H13Q25-3, C7H13Q25-4, C7H13Q25-6, C7H13Q25-7, C7H13Q26-1, C7H13Q26-3, C7H13Q26-4, C7H13Q34-1, C7H13Q34-2, C7H13Q34-5, C7H13Q34-6, C7H13Q34-7, C7H13Q35-1, C7H13Q35-2, C7H13Q35-4, C7KET12, C7KET13, C7KET14, C7KET15, C7KET21, C7KET23, C7KET24, C7KET25, C7KET26, C7KET31, C7KET32, C7KET34, C7KET35, C7KET36, C7KET37, C7KET41, C7KET42, C7KET43, C7H13-1D3OOH, C7H13-1D4OOH, C7H13-1D5OOH, C7H13-1D6OOH, C7H13-2D1OOH, C7H13-2D4OOH, C7H13-2D5OOH, C7H13-2D6OOH, C7H13-2D7OOH, C7H13-3D1OOH, C7H13-3D2OOH, C7H13-3D5OOH, C7H13-3D6OOH, C7H13-3D7OOH, C7H13O12-3OOH, C7H13O12-4OOH, C7H13O12-5OOH, C7H13O12-6OOH, C7H13O13-2OOH, C7H13O13-4OOH, C7H13O13-5OOH, C7H13O13-6OOH, C7H13O13-7OOH, C7H13O14-2OOH, C7H13O14-3OOH, C7H13O14-5OOH, C7H13O14-6OOH, C7H13O14-7OOH, C7H13O15-2OOH, C7H13O15-3OOH, C7H13O15-4OOH, C7H13O15-6OOH, C7H13O15-7OOH, C7H13O23-1OOH, C7H13O23-4OOH, C7H13O23-5OOH, C7H13O23-6OOH, C7H13O23-7OOH, C7H13O24-1OOH, C7H13O24-3OOH, C7H13O24-5OOH, C7H13O24-6OOH, C7H13O24-7OOH, C7H13O25-1OOH, C7H13O25-3OOH, C7H13O25-4OOH, C7H13O25-6OOH, C7H13O25-7OOH, C7H13O26-1OOH, C7H13O26-3OOH, C7H13O26-4OOH, C7H13O34-1OOH, C7H13O34-2OOH, C7H13O34-5OOH, C7H13O34-6OOH, C7H13O34-7OOH, C7H13O35-1OOH, C7H13O35-2OOH, C7H13O35-4OOH, C7KET12O, C7KET13O, C7KET14O, C7KET15O, C7KET21O, C7KET23O, C7KET24O, C7KET25O, C7KET26O, C7KET31O, C7KET32O, C7KET34O, C7KET35O, C7KET36O, C7KET37O, C7KET41O, C7KET42O, C7KET43O, C7Y24, C7Y13, C7Y35, C7H14OOH1-2O, C7H14OOH1-3O, C7H14OOH1-4O, C7H14OOH1-5O, C7H14OOH2-1O, C7H14OOH2-3O, C7H14OOH2-4O, C7H14OOH2-5O, C7H14OOH2-6O, C7H14OOH3-1O, C7H14OOH3-2O, C7H14OOH3-4O, C7H14OOH3-5O, C7H14OOH3-6O, C7H14OOH3-7O, C7H14OOH4-1O, C7H14OOH4-2O, C7H14OOH4-3O, C6H11O13-6, C6H11O14-6, C6H11O15-6, C6H11O23-1, C6H11O23-6, C6H11O24-1, C6H11O24-6, C6H11O34-1, C6Y2-1J, C6Y3-6J, C6Y3-1J, C7H14-1, C7H14-2, C7H14-3, C7H131-3, C7H131-4, C7H131-5, C7H131-6, C7H131-7, C7H132-4, C7H132-5, C7H132-6, C7H132-7, C7H133-1, C7H133-5, C7H133-6, C7H133-7, C7H13-1D3O, C7H13-2D4O, C7H13-3D5O, C7H14OH-1J2, C7H14OH-2J1, C7H14OH-2J3, C7H14OH-3J2, C7H14OH-3J4, C7H14OH-4J3, C7H14OH-1O2-2, C7H14OH-2O2-1, C7H14OH-2O2-3, C7H14OH-3O2-2, C7H14OH-3O2-4, C7H14OH-4O2-3, C5D2Y1, C5D2Y1-1R, C3Y1-3OR, C4Y1-3OR, C6D2Y1, C6D2Y1-1R, H15DE25DM, H15DE25DM-S, H15DE25DM-A, H15DE25DM-AO, H15DE25DM-SO, H15DE2M-T, IC4H7CHO, L-C6H4, C-C6H4, C6H3, C6H2, C6H6, FULVENE, C6H5, C6H5OO, C6H5OOH, C6H5OH, C6H5O, C6H4OH, OC6H4OH, O-C6H4O2, P-C6H4O2, O-OC6H5OJ, P-OC6H5OJ, P-C6H3O2, C5H6, C5H5, C5H6-L, C#CCVCCJ, C5H7, CVCCJCVC, CVCCVCCJ, CVCCJCVCOH, HOCVCCVO, CVCCVCCOH, OC5H7O, OC4H6O, OC4H5O, O2CCHOOJ, HOCVCCJVO, C5H5OH, C5H5O, C5H4OH, C5H4O, C5H3O, CJVCCVCCVO, CVCCVCCJVO, CJVCCVO] kinetics: gas reactions: all state: T: 300.0 P: 1.01325e+05 species: - name: AR composition: {Ar: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491] - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.37967491] note: G5/97 - name: N2 composition: {N: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.53100528, -1.23660988e-04, -5.02999433e-07, 2.43530612e-09, -1.40881235e-12, -1046.97628, 2.96747038] - [2.95257637, 1.3969004e-03, -4.92631603e-07, 7.86010195e-11, -4.60755204e-15, -923.948688, 5.87188762] note: G8/02 - name: HE composition: {He: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974] - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 0.928723974] note: G5/97 - name: H2 composition: {H: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12, -917.935173, 0.683010238] - [2.93286575, 8.26608026e-04, -1.46402364e-07, 1.54100414e-11, -6.888048e-16, -813.065581, -1.02432865] note: TPIS78 - name: H composition: {H: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285] - [2.5, 0.0, 0.0, 0.0, 0.0, 2.547366e+04, -0.44668285] note: L6/94 - name: O2 composition: {O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, -1063.94356, 3.65767573] - [3.66096065, 6.56365811e-04, -1.41149627e-07, 2.05797935e-11, -1.29913436e-15, -1215.97718, 3.41536279] note: RUS89 - name: O composition: {O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12, 2.91222592e+04, 2.05193346] - [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16, 2.9226012e+04, 4.92229457] note: L1/90 - name: H2O composition: {H: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.1986352, -2.0364017e-03, 6.5203416e-06, -5.4879269e-09, 1.771968e-12, -3.0293726e+04, -0.84900901] - [2.6770389, 2.9731816e-03, -7.7376889e-07, 9.4433514e-11, -4.2689991e-15, -2.9885894e+04, 6.88255] note: L5/89 - name: OH composition: {H: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.99198424, -2.40106655e-03, 4.61664033e-06, -3.87916306e-09, 1.36319502e-12, 3368.89836, -0.103998477] - [2.83853033, 1.10741289e-03, -2.94000209e-07, 4.20698729e-11, -2.4228989e-15, 3697.80808, 5.84494652] note: IU3/03 - name: OHV composition: {H: 1, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [3.637266, 1.85091e-04, -1.6761646e-06, 2.387202e-09, -8.431442e-13, 5.00213e+04, 1.3588605] - [2.88273, 1.0139743e-03, -2.276877e-07, 2.174683e-11, -5.126305e-16, 5.0265e+04, 5.595712] note: '121286' - name: H2O2 composition: {H: 2, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.31515149, -8.47390622e-04, 1.76404323e-05, -2.26762944e-08, 9.08950158e-12, -1.77067437e+04, 3.27373319] - [4.57977305, 4.05326003e-03, -1.2984473e-06, 1.982114e-10, -1.13968792e-14, -1.80071775e+04, 0.664970694] note: T8/03 - name: HO2 composition: {H: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 5000.0] data: - [4.30179807, -4.74912097e-03, 2.11582905e-05, -2.42763914e-08, 9.29225225e-12, 264.018485, 3.7166622] - [4.17228741, 1.88117627e-03, -3.46277286e-07, 1.94657549e-11, 1.76256905e-16, 31.0206839, 2.95767672] note: T1/09 - name: CO composition: {C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.5795335, -6.1035369e-04, 1.0168143e-06, 9.0700586e-10, -9.0442449e-13, -1.4344086e+04, 3.5084093] - [3.0484859, 1.3517281e-03, -4.8579405e-07, 7.8853644e-11, -4.6980746e-15, -1.4266117e+04, 6.0170977] note: RUS79 - name: CO2 composition: {C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.356813, 8.9841299e-03, -7.1220632e-06, 2.4573008e-09, -1.4288548e-13, -4.8371971e+04, 9.9009035] - [4.6365111, 2.7414569e-03, -9.9589759e-07, 1.6038666e-10, -9.1619857e-15, -4.9024904e+04, -1.9348955] note: L7/88 - name: HOCO composition: {H: 1, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.92207919, 7.62453859e-03, 3.29884437e-06, -1.07135205e-08, 5.11587057e-12, -2.30281524e+04, 11.2925886] - [5.39206152, 4.11221455e-03, -1.481949e-06, 2.3987546e-10, -1.43903104e-14, -2.38606717e+04, -2.23529091] note: T05/06 - name: CH4 composition: {H: 4, C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.14911468, -0.0136622009, 4.91453921e-05, -4.84246767e-08, 1.66603441e-11, -1.02465983e+04, -4.63848842] - [1.65326226, 0.0100263099, -3.31661238e-06, 5.36483138e-10, -3.14696758e-14, -1.00095936e+04, 9.90506283] note: G8/99 - name: CH3 composition: {H: 3, C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.6571797, 2.1265979e-03, 5.4583883e-06, -6.6181003e-09, 2.4657074e-12, 1.6422716e+04, 1.6735354] - [2.9781206, 5.797852e-03, -1.97558e-06, 3.072979e-10, -1.7917416e-14, 1.6509513e+04, 4.7224799] note: IU0702 - name: CH2 composition: {H: 2, C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.71757846, 1.2739126e-03, 2.17347251e-06, -3.488585e-09, 1.65208866e-12, 4.58723866e+04, 1.75297945] - [3.14631886, 3.03671259e-03, -9.96474439e-07, 1.5048358e-10, -8.57335515e-15, 4.60412605e+04, 4.72341711] note: IU3/03 - name: CH2(S) composition: {H: 2, C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.19331325, -2.33105184e-03, 8.15676451e-06, -6.62985981e-09, 1.93233199e-12, 5.03662246e+04, -0.74673431] - [3.13501686, 2.89593926e-03, -8.1666809e-07, 1.13572697e-10, -6.36262835e-15, 5.05040504e+04, 4.06030621] note: IU6/03 - name: C composition: {C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.5542395, -3.2153772e-04, 7.3379223e-07, -7.3223487e-10, 2.6652144e-13, 8.5442681e+04, 4.5313085] - [2.605583, -1.9593434e-04, 1.0673722e-07, -1.642394e-11, 8.187058e-16, 8.5411742e+04, 4.1923868] note: L7/88 - name: CH composition: {H: 1, C: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.4897583, 3.243216e-04, -1.6899751e-06, 3.162842e-09, -1.4061803e-12, 7.0612646e+04, 2.0842841] - [2.5209369, 1.7653639e-03, -4.614766e-07, 5.9289675e-11, -3.3474501e-15, 7.0946769e+04, 7.4051829] note: IU3/03 - name: CHV composition: {H: 1, C: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [3.200202, 2.072875e-03, -5.134431e-06, 5.73389e-09, -1.955533e-12, 1.0393714e+05, 3.331587] - [2.196223, 2.340381e-03, -7.058201e-07, 9.007582e-11, -3.85504e-15, 1.0419559e+05, 9.178373] note: '073003' - name: CH3O2H composition: {H: 4, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.90540897, 0.0174994735, 5.2824363e-06, -2.52827275e-08, 1.34368212e-11, -1.68894632e+04, 11.3741987] - [7.76538058, 8.61499712e-03, -2.98006935e-06, 4.68638071e-10, -2.75339255e-14, -1.82979984e+04, -14.3992663] note: A7/05 - name: CH3O2 composition: {H: 3, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1374.0, 5000.0] data: - [1.97339205, 0.015354234, -6.37314891e-06, 3.19930565e-10, 2.82193915e-13, 254.278835, 16.9194215] - [6.47970487, 7.4440108e-03, -2.52348555e-06, 3.89577296e-10, -2.25182399e-14, -1562.85441, -8.19477074] - name: CH2O2H composition: {H: 3, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [2.88976454, 0.0209465776, -1.75190772e-05, 7.27819787e-09, -1.18912344e-12, 6123.9062, 12.3802076] - [9.24697852, 4.60845541e-03, -1.53501472e-06, 2.3443483e-10, -1.34573106e-14, 4115.29953, -21.1503248] note: 9/1/12 - name: CH3OH composition: {H: 4, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.65851051, -0.0162983419, 6.91938156e-05, -7.58372926e-08, 2.8042755e-11, -2.56119736e+04, -0.897330508] - [3.52726795, 0.0103178783, -3.62892944e-06, 5.77448016e-10, -3.42182632e-14, -2.60028834e+04, 5.16758693] note: T06/02 - name: CH3O composition: {H: 3, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.71180502, -2.80463306e-03, 3.76550971e-05, -4.73072089e-08, 1.8658842e-11, 1295.6976, 6.57240864] - [4.75779238, 7.44142474e-03, -2.69705176e-06, 4.38090504e-10, -2.63537098e-14, 378.11194, -1.96680028] note: IU1/03 - name: CH2OH composition: {H: 3, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.47834367, -1.3507031e-03, 2.7848498e-05, -3.6486906e-08, 1.4790745e-11, -3500.7289, 3.309135] - [5.0931437, 5.9476126e-03, -2.0649746e-06, 3.23008173e-10, -1.88125902e-14, -4034.0964, -1.84691493] note: IU2/03 - name: CH2O composition: {H: 2, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.79372312, -9.90833322e-03, 3.7321999e-05, -3.79285237e-08, 1.31772641e-11, -1.43791953e+04, 0.602798058] - [3.16952665, 6.1932056e-03, -2.25056366e-06, 3.6597566e-10, -2.20149458e-14, -1.45486831e+04, 6.04207898] note: T5/11 - name: HCO composition: {H: 1, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.2375461, -3.32075257e-03, 1.40030264e-05, -1.34239995e-08, 4.37416208e-12, 3872.41185, 3.30834869] - [3.92001542, 2.52279324e-03, -6.71004164e-07, 1.05615948e-10, -7.43798261e-15, 3653.42928, 3.58077056] note: T5/03 - name: HCOH composition: {H: 2, C: 1, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-2.82157421, 0.0357331702, -3.8086158e-05, 1.86205951e-08, -3.45957838e-12, 1.12956672e+04, 34.8487757] - [9.18749272, 1.52011152e-03, -6.27603516e-07, 1.09727989e-10, -6.89655128e-15, 7813.64593, -27.3434214] note: MAR94 - name: HO2CHO composition: {H: 2, C: 1, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [2.42464726, 0.021970638, -1.68705546e-05, 6.25612194e-09, -9.11645843e-13, -3.54828006e+04, 17.5027796] - [9.87503878, 4.64663708e-03, -1.67230522e-06, 2.68624413e-10, -1.59595232e-14, -3.80502496e+04, -22.4939155] note: 6/26/95THERM - name: HOCH2O2H composition: {H: 4, C: 1, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [0.535189713, 0.0373266553, -3.15299511e-05, 1.30352583e-08, -2.11473264e-12, -3.86609415e+04, 27.1776082] - [12.4531886, 7.1822111e-03, -2.47029548e-06, 3.85611737e-10, -2.24774193e-14, -4.24862928e+04, -35.8745197] note: 9/1/12 - name: HOCH2O2 composition: {H: 3, C: 1, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1377.0, 5000.0] data: - [2.82068616, 0.0247857094, -1.66186399e-05, 4.79633095e-09, -4.28087766e-13, -2.22077036e+04, 17.0599803] - [11.6406115, 5.7282604e-03, -2.05362036e-06, 3.29070695e-10, -1.9518836e-14, -2.53505769e+04, -30.7332064] note: 9/1/12 - name: OCH2O2H composition: {H: 3, C: 1, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [0.446349361, 0.0363049606, -3.26130978e-05, 1.37050551e-08, -2.20872791e-12, -1.41972598e+04, 27.2960376] - [12.9622491, 4.21948855e-03, -1.54275194e-06, 2.50413077e-10, -1.49855537e-14, -1.81326406e+04, -38.7016356] note: 7/21/14THERM - name: HOCH2O composition: {H: 3, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1452.0, 5000.0] data: - [4.11183145, 7.53850697e-03, 3.7733737e-06, -5.38746005e-09, 1.45615887e-12, -2.28023001e+04, 7.46807254] - [6.39521515, 7.43673043e-03, -2.50422354e-06, 3.84879712e-10, -2.21778689e-14, -2.4110884e+04, -6.63865583] note: 2/16/99THERM - name: O2CHO composition: {H: 1, C: 1, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1368.0, 5000.0] data: - [3.96059309, 0.0106002279, -5.25713351e-06, 1.01716726e-09, -2.87487602e-14, -1.73599383e+04, 11.7807483] - [7.24075139, 4.63312951e-03, -1.63693995e-06, 2.59706693e-10, -1.52964699e-14, -1.87027618e+04, -6.49547212] note: 6/26/95THERM - name: HOCHO composition: {H: 2, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.8983616, -3.5587795e-03, 3.5520538e-05, -4.3849959e-08, 1.7107769e-11, -4.6770609e+04, 7.3495397] - [4.6138316, 6.4496364e-03, -2.2908251e-06, 3.6716047e-10, -2.1873675e-14, -4.751485e+04, 0.84788383] note: L8/88 - name: OCHO composition: {H: 1, C: 1, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.68825921, -4.14871834e-03, 2.5506601e-05, -2.844739e-08, 1.04422559e-11, -1.69867041e+04, 4.2842648] - [4.14394211, 5.59738818e-03, -1.99794019e-06, 3.16179193e-10, -1.85614483e-14, -1.72459887e+04, 5.07778617] note: ATCT/A - name: C2H6 composition: {H: 6, C: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.29142572, -5.50154901e-03, 5.99438458e-05, -7.08466469e-08, 2.68685836e-11, -1.15222056e+04, 2.66678994] - [4.04666411, 0.0153538802, -5.47039485e-06, 8.77826544e-10, -5.23167531e-14, -1.24473499e+04, -0.968698313] note: G8/88 - name: C2H5 composition: {H: 5, C: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [1.32730217, 0.0176656753, -6.14926558e-06, -3.01143466e-10, 4.38617775e-13, 1.34284028e+04, 17.1789216] - [5.8878439, 0.0103076793, -3.46844396e-06, 5.32499257e-10, -3.06512651e-14, 1.15065499e+04, -8.49651771] note: 8/4/4THERM - name: C2H5O2H composition: {H: 6, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [1.83755328, 0.0338053586, -2.3754814e-05, 9.31974865e-09, -1.58003428e-12, -2.15814086e+04, 18.0977584] - [10.4823538, 0.0134779879, -4.62179078e-06, 7.18618519e-10, -4.17307436e-14, -2.46578171e+04, -28.4294243] note: 9/1/12 - name: C2H5O2 composition: {H: 5, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [3.90351912, 0.0222599212, -1.01610079e-05, 1.71709751e-09, 1.88166738e-14, -5096.54081, 8.9872275] - [9.5028257, 0.0120429839, -4.09491581e-06, 6.33049241e-10, -3.66133788e-14, -7370.69391, -22.171713] note: 9/1/12 - name: C2H4 composition: {H: 4, C: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.481118223, 0.018377806, -9.99633565e-06, 2.73211039e-09, -3.01837289e-13, 5443.86648, 18.5867157] - [5.07061289, 9.11140768e-03, -3.10506692e-06, 4.80733851e-10, -2.78321396e-14, 3663.91217, -6.64501414] note: 8/12/15 - name: C2H3 composition: {H: 3, C: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [1.25545094, 0.0157481597, -1.12218328e-05, 4.50915682e-09, -7.74861577e-13, 3.47435574e+04, 16.9664043] - [4.99675415, 6.55838271e-03, -2.20921909e-06, 3.39300272e-10, -1.95316926e-14, 3.34604382e+04, -3.01451097] note: 8/12/15 - name: CHOCHO composition: {H: 2, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.8810512, 0.0236386368, -1.83443295e-05, 6.84842963e-09, -9.92733674e-13, -2.6928019e+04, 15.9154793] - [9.75438561, 4.97645947e-03, -1.74410483e-06, 2.75586994e-10, -1.61969892e-14, -2.95832896e+04, -26.1878329] - name: C2H3OOH composition: {H: 4, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.35644398, 0.0337002447, -2.759885e-05, 1.14222854e-08, -1.89488886e-12, -5499.96692, 19.8354466] - [11.5749951, 8.09909174e-03, -2.81808668e-06, 4.42697954e-10, -2.58998042e-14, -8848.52664, -34.3859117] note: 4/18/8THERM - name: C2H3OO composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 2000.0] data: - [1.09784776, 0.0295333237, -2.2774436e-05, 7.20559155e-09, -3.07929092e-13, 1.13996101e+04, 21.3563583] - [6.04483828, 0.0145511127, -7.50974622e-06, 1.8348828e-09, -1.66689681e-13, 1.01699244e+04, -3.71144913] - name: CHCHO composition: {H: 2, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 2000.0] data: - [2.33256751, 0.0162952986, -9.72052177e-06, 5.15124155e-10, 1.03836514e-12, 2.96585452e+04, 13.9904923] - [4.9263291, 9.71712147e-03, -5.5485598e-06, 1.53068537e-09, -1.64742462e-13, 2.89499494e+04, 0.527874677] - name: C2H2 composition: {H: 2, C: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.808679682, 0.0233615762, -3.55172234e-05, 2.80152958e-08, -8.50075165e-12, 2.64289808e+04, 13.9396761] - [4.65878489, 4.88396667e-03, -1.60828888e-06, 2.46974544e-10, -1.38605959e-14, 2.57594042e+04, -3.99838194] note: G1/91 - name: C2H composition: {H: 1, C: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.89867676, 0.0132988489, -2.80733327e-05, 2.89484755e-08, -1.07502351e-11, 6.7061605e+04, 6.18547632] - [3.66270248, 3.82492252e-03, -1.366325e-06, 2.1345504e-10, -1.23216848e-14, 6.7168379e+04, 3.92205792] note: T5/10 - name: H2CC composition: {H: 2, C: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.2815483, 6.9764791e-03, -2.3855244e-06, -1.2104432e-09, 9.8189545e-13, 4.8621794e+04, 5.920391] - [4.278034, 4.7562804e-03, -1.6301009e-06, 2.5462806e-10, -1.4886379e-14, 4.8316688e+04, 0.64023701] note: L12/89 - name: C2H5OH composition: {H: 6, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.215805861, 0.0295228396, -1.68271048e-05, 4.49484797e-09, -4.02451543e-13, -2.94851823e+04, 24.5725052] - [8.14483865, 0.0128314052, -4.29052743e-06, 6.55971721e-10, -3.76506611e-14, -3.24005526e+04, -18.6241126] note: 8/12/15 - name: C2H5O composition: {H: 5, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1467.0, 5000.0] data: - [2.90353584, 0.0177256708, -2.69624757e-06, -3.45830533e-09, 1.25224784e-12, -3289.3029, 11.3545591] - [8.19120635, 0.0110391986, -3.75270536e-06, 5.80275784e-10, -3.35735146e-14, -5668.47208, -19.0131344] note: 8/12/15 - name: PC2H4OH composition: {H: 5, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [2.59479867, 0.0227100669, -1.39473846e-05, 4.70095591e-09, -6.90044236e-13, -4914.86975, 14.3240718] - [8.0675015, 0.0106143554, -3.5799936e-06, 5.5036376e-10, -3.17051769e-14, -6927.47939, -15.3833428] note: 8/12/15 - name: SC2H4OH composition: {H: 5, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.46281093, 0.0239193995, -1.30667185e-05, 3.10615465e-09, -1.85896007e-13, -8007.90323, 19.2547092] - [8.15007136, 0.0102549305, -3.40137764e-06, 5.17509965e-10, -2.96128942e-14, -1.05014386e+04, -17.3134615] note: 8/12/15 - name: O2C2H4OH composition: {H: 5, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1506.0, 5000.0] data: - [7.040098, 0.0159564166, 2.21097416e-06, -7.05197355e-09, 2.08266026e-12, -2.24524432e+04, -1.75361758] - [12.7503881, 0.0111514325, -3.83473891e-06, 5.98155829e-10, -3.48372108e-14, -2.52770876e+04, -35.4317608] note: 9/1/12THERM - name: C2H4O2H composition: {H: 5, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.75788364, 0.0288271987, -2.08302264e-05, 8.47401397e-09, -1.4861761e-12, 3001.53893, 15.9921711] - [10.0590614, 0.0113378955, -3.89403387e-06, 6.06090687e-10, -3.52212353e-14, 424.048653, -23.2086536] note: 9/1/12 - name: C2H4O1-2 composition: {H: 4, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.7590532, -9.441218e-03, 8.0309721e-05, -1.0080788e-07, 4.0039921e-11, -7560.8143, 7.8497475] - [5.4887641, 0.01204619, -4.3336931e-06, 7.0028311e-10, -4.1949088e-14, -9180.4251, -7.0799605] note: L8/88 - name: C2H3O1-2 composition: {H: 3, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.58349017, -6.02275805e-03, 6.32426867e-05, -8.18540707e-08, 3.30444505e-11, 1.85681353e+04, 9.59725926] - [5.60158035, 9.17613962e-03, -3.28028902e-06, 5.27903888e-10, -3.15362241e-14, 1.71446252e+04, -5.47228512] note: A1/05 - name: CH3CHO composition: {H: 4, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11, -2.1572878e+04, 4.1030159] - [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14, -2.2593122e+04, -3.4807917] note: L8/88 - name: CH3CO composition: {H: 3, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [4.0358705, 8.7729487e-04, 3.071001e-05, -3.9247565e-08, 1.5296869e-11, -2682.0738, 7.8617682] - [5.3137165, 9.1737793e-03, -3.3220386e-06, 5.3947456e-10, -3.2452368e-14, -3645.0414, -1.6757558] note: IU2/03 - name: CH2CHO composition: {H: 3, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.795026, 0.0101099472, 1.61750645e-05, -3.10303145e-08, 1.39436139e-11, 162.944975, 12.3646657] - [6.53928338, 7.80238629e-03, -2.76413612e-06, 4.42098906e-10, -2.6295429e-14, -1188.58659, -8.72091393] note: T03/10 - name: O2CH2CHO composition: {H: 3, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-1.29465843, 0.0444936393, -4.26577074e-05, 2.0739195e-08, -3.96828771e-12, -1.18275628e+04, 36.0778797] - [11.1807543, 9.14479256e-03, -3.15089833e-06, 4.91944238e-10, -2.8663918e-14, -1.55790331e+04, -28.789274] note: BOZ_03 - name: HO2CH2CO composition: {H: 3, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [2.22681686, 0.035678138, -3.26401909e-05, 1.47651988e-08, -2.6479438e-12, -1.18735095e+04, 19.1581197] - [10.4146322, 0.0112680116, -5.17494839e-06, 1.00333285e-09, -6.68165911e-14, -1.40955672e+04, -22.78944] note: BOZ_03 - name: C2H3OH composition: {H: 4, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [-0.12797226, 0.0338506073, -3.30644935e-05, 1.64858739e-08, -3.19935455e-12, -1.59914544e+04, 23.0438601] - [8.32598158, 8.03387281e-03, -2.63928405e-06, 3.98410726e-10, -2.26551155e-14, -1.83221436e+04, -20.2080305] note: 2/3/9THERM - name: C2H2OH composition: {H: 3, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.641642616, 0.0261903633, -2.3038537e-05, 1.02804704e-08, -1.81971416e-12, 1.48276951e+04, 20.6750999] - [8.20268447, 5.92989165e-03, -1.99194448e-06, 3.05794341e-10, -1.76114732e-14, 1.24881328e+04, -18.9670436] - name: CH2CO composition: {H: 2, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [1.81422511, 0.019900859, -2.21416008e-05, 1.45028521e-08, -3.98877068e-12, -7053.94926, 13.6079359] - [5.35869367, 6.95641586e-03, -2.64802637e-06, 4.65067592e-10, -3.0864182e-14, -7902.94013, -3.98525731] - name: HCCO composition: {H: 1, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.87607969, 0.0221205418, -3.58869325e-05, 3.05402541e-08, -1.01281069e-11, 2.0163384e+04, 13.696829] - [5.91479333, 3.7140873e-03, -1.3013701e-06, 2.06473345e-10, -1.21476759e-14, 1.93596301e+04, -5.50567269] note: T4/09 - name: HCCOH composition: {H: 2, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.05541154, 0.0252003372, -3.80821654e-05, 3.09890632e-08, -9.89799902e-12, 9768.72113, 12.2271534] - [6.37509678, 5.49429011e-03, -1.88136576e-06, 2.93803536e-10, -1.71771901e-14, 8932.77676, -8.24498007] note: T12/09 - name: CH3CO3H composition: {H: 4, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [2.24135876, 0.0337963514, -2.53887482e-05, 9.67583587e-09, -1.49266157e-12, -4.24677831e+04, 17.0668133] - [12.5060485, 9.47789695e-03, -3.30402246e-06, 5.19630793e-10, -3.04233568e-14, -4.59856703e+04, -37.9195947] note: 6/26/95THERM - name: CH3CO3 composition: {H: 3, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [3.60373432, 0.0270080341, -2.08293438e-05, 8.50541104e-09, -1.4384611e-12, -2.34205171e+04, 11.2014914] - [11.2522498, 8.33652672e-03, -2.8901453e-06, 4.52781734e-10, -2.64354456e-14, -2.60238584e+04, -29.6370457] note: 4/3/0THERM - name: CH3CO2 composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.37440768, 0.0249115604, -1.74308894e-05, 6.24799508e-09, -9.09516835e-13, -2.7233015e+04, 18.1405454] - [8.54059736, 8.32951214e-03, -2.8472201e-06, 4.41927196e-10, -2.56373394e-14, -2.97290678e+04, -20.3883545] note: 2/14/95THERM - name: CH3OCH3 composition: {H: 6, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1999.0, 5000.0] data: - [2.0559739, 0.0207019456, -5.00382376e-06, -1.62279885e-09, 6.84330155e-13, -2.35494445e+04, 14.5029944] - [6.03232751, 0.015615527, -5.5076103e-06, 8.7566614e-10, -5.17180562e-14, -2.52690354e+04, -8.25885183] note: 2/11/14THERM - name: CH3OCH2 composition: {H: 5, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.58874948, 0.0224414123, -1.19434933e-05, 3.37160213e-09, -4.15077249e-13, -1372.08255, 18.7548958] - [6.62621974, 0.0122219496, -4.12416696e-06, 6.34127512e-10, -3.6531739e-14, -3339.6589, -8.95305753] note: 2/11/14THERM - name: CH3OCH2O2H composition: {H: 6, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [1.05786981, 0.0436787095, -3.46383899e-05, 1.4480883e-08, -2.46100643e-12, -3.68851076e+04, 24.3391936] - [12.8159161, 0.0134818095, -4.50397729e-06, 6.88229286e-10, -3.9488368e-14, -4.06745921e+04, -37.8047802] note: 2/12/14THERM - name: CH3OCH2O2 composition: {H: 5, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1441.0, 5000.0] data: - [3.39930541, 0.0309460407, -1.92548181e-05, 5.76033887e-09, -6.16081571e-13, -2.04433218e+04, 13.9429608] - [11.9179361, 0.0119412867, -3.93526185e-06, 5.95756132e-10, -3.39597705e-14, -2.34231833e+04, -32.0096863] note: 2/12/14THERM - name: CH2OCH2O2H composition: {H: 5, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [0.162245477, 0.0476101093, -4.52046954e-05, 2.18379311e-08, -4.11295947e-12, -1.464981e+04, 29.8253164] - [12.3892901, 0.0111758961, -3.59249095e-06, 5.34196366e-10, -3.00536541e-14, -1.80551598e+04, -32.9576862] note: 2/12/14THERM - name: O2CH2OCH2O2H composition: {H: 5, C: 2, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1433.0, 5000.0] data: - [2.39977678, 0.0539881943, -4.87969524e-05, 2.19792134e-08, -3.86106979e-12, -3.37824638e+04, 23.0683371] - [17.7378326, 0.0113589899, -3.67382539e-06, 5.49255712e-10, -3.10405899e-14, -3.82903058e+04, -56.6609932] note: 2/12/14ERM - name: HO2CH2OCHO composition: {H: 4, C: 2, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.21909586, 0.0428858235, -3.17634222e-05, 1.11542676e-08, -1.49753153e-12, -5.79287926e+04, 24.9759193] - [15.7136128, 9.64430166e-03, -3.44136025e-06, 5.49722196e-10, -3.25360322e-14, -6.29409094e+04, -52.9505242] note: 2/12/14THERM - name: OCH2OCHO composition: {H: 3, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1523.0, 5000.0] data: - [1.89539692, 0.0274118545, -1.3647609e-05, 1.26325603e-09, 5.17970476e-13, -4.2787944e+04, 20.2333278] - [12.40132, 7.83738243e-03, -2.82992688e-06, 4.55558739e-10, -2.71061389e-14, -4.6845347e+04, -37.8084549] note: 5/29/14THERM - name: HOCH2OCO composition: {H: 3, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1443.0, 5000.0] data: - [5.95255071, 8.42196282e-03, 1.36741678e-05, -1.46786275e-08, 3.84143533e-12, -4.44470269e+04, 2.85657217] - [11.149841, 9.3473652e-03, -3.35541548e-06, 5.38037115e-10, -3.19260183e-14, -4.75012119e+04, -29.5983867] note: 5/29/14THERM - name: CH3OCH2O composition: {H: 5, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1523.0, 5000.0] data: - [5.63414373, 8.92830283e-03, 1.37225633e-05, -1.40497059e-08, 3.54625624e-12, -2.22825214e+04, 1.93588846] - [9.81288609, 0.0121313106, -4.30285768e-06, 6.84443177e-10, -4.03862658e-14, -2.50760742e+04, -25.1866352] note: 5/15/14THERM - name: CH3OCHO composition: {H: 4, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.96757028, -9.38085425e-03, 7.07648417e-05, -8.29932227e-08, 3.13522917e-11, -4.55713267e+04, 0.750341113] - [6.3336088, 0.0134851485, -4.84305805e-06, 7.81719241e-10, -4.67917447e-14, -4.68316521e+04, -6.91542601] note: T6/08 - name: CH3OCO composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1601.0, 5000.0] data: - [4.16215406, 0.0138037511, -3.08486109e-07, -4.56430814e-09, 1.46909632e-12, -2.10130301e+04, 8.64301044] - [9.73659803, 7.42432713e-03, -2.65641779e-06, 4.25031143e-10, -2.51824924e-14, -2.36015721e+04, -23.6353471] note: 5/8/3THERM - name: CH2OCHO composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1442.0, 5000.0] data: - [2.31031671, 0.0180474065, -2.71519637e-06, -4.60918579e-09, 1.70037078e-12, -2.02910878e+04, 17.1549722] - [10.0960096, 7.19887066e-03, -2.59813465e-06, 4.18110812e-10, -2.48723387e-14, -2.36389018e+04, -27.1144175] note: 4/15/8THERM - name: C3H8 composition: {H: 8, C: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.24087847, 0.0339548599, -1.60930874e-05, 2.83480628e-09, 2.78195172e-14, -1.40362853e+04, 21.65008] - [9.1554131, 0.0172574139, -5.85614868e-06, 9.04190155e-10, -5.22523772e-14, -1.75762439e+04, -27.741851] note: 8/12/15 - name: IC3H7 composition: {H: 7, C: 3} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 6000.0] data: - [-0.897467137, 0.0415744022, -4.94778349e-05, 4.56493655e-08, -1.79085437e-11, 9939.50407, 29.2641758] - [6.70775549, 0.0174048076, -6.07615926e-06, 9.60084351e-10, -5.6565649e-14, 7553.77821, -10.3686516] note: 8/12/15 - name: NC3H7 composition: {H: 7, C: 3} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 6000.0] data: - [-2.20120865, 0.0529641653, -7.23640506e-05, 6.3699694e-08, -2.29332581e-11, 1.15130744e+04, 34.3669174] - [7.48614243, 0.0165769478, -5.74876481e-06, 9.04103694e-10, -5.30867231e-14, 8937.10008, -14.2595379] note: 8/12/15 - name: NC3H7O2H composition: {H: 8, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.35815897, 0.0456683952, -2.91646368e-05, 9.41701313e-09, -1.22337394e-12, -2.41528416e+04, 22.3322825] - [14.2246236, 0.0174340964, -5.97063522e-06, 9.27753851e-10, -5.38585168e-14, -2.88159737e+04, -47.4357865] note: 8/12/15 - name: NC3H7O2 composition: {H: 7, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.13311681, 0.0396692045, -2.37570127e-05, 6.96020417e-09, -7.82576856e-13, -7466.87112, 19.2444565] - [13.2753283, 0.0161303126, -5.52348308e-06, 8.58197168e-10, -4.98172586e-14, -1.16032968e+04, -41.5091215] note: 8/12/15 - name: IC3H7O2H composition: {H: 8, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.77384705, 0.0475813498, -3.43745304e-05, 1.31405381e-08, -2.06922904e-12, -2.63458844e+04, 17.7669753] - [14.4896107, 0.0168268026, -5.67601391e-06, 8.72850837e-10, -5.02993991e-14, -3.06478491e+04, -50.1352281] note: 8/12/15 - name: IC3H7O2 composition: {H: 7, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [2.58517502, 0.0416107259, -2.92193877e-05, 1.08614807e-08, -1.66312005e-12, -9670.13161, 14.47313] - [13.526812, 0.0154306581, -5.17464218e-06, 7.92548669e-10, -4.55415379e-14, -1.33946348e+04, -44.0461451] note: 8/12/15 - name: NC3H7O composition: {H: 7, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [2.5748688, 0.03071006, -1.20048836e-05, 3.40807108e-12, 7.25275283e-13, -6209.1335, 14.5966401] - [11.5279177, 0.0153775991, -5.23946272e-06, 8.11382512e-10, -4.69927603e-14, -9850.99867, -35.4233008] note: 8/12/15 - name: IC3H7O composition: {H: 7, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1527.0, 5000.0] data: - [2.3610841, 0.0345650027, -1.94579631e-05, 4.71536901e-09, -2.64704937e-13, -8287.91395, 13.3112436] - [11.9648494, 0.0142943974, -4.71413211e-06, 7.14027066e-10, -4.07161162e-14, -1.17519389e+04, -38.8860959] note: 8/12/15 - name: C3H6OOH1-2 composition: {H: 7, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.83631132, 0.0388229894, -2.47944364e-05, 7.85644898e-09, -9.586343e-13, -1260.02528, 17.2549973] - [13.8088686, 0.014384565, -4.74440961e-06, 7.1930828e-10, -4.10654123e-14, -5143.52831, -42.0210765] note: 9/1/12 - name: C3H6OOH1-3 composition: {H: 7, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.74271107, 0.0453733504, -3.57580373e-05, 1.48540053e-08, -2.49981756e-12, 232.580844, 22.0973041] - [13.9130757, 0.0140218463, -4.55921149e-06, 6.84182417e-10, -3.87696213e-14, -3656.50518, -42.1532559] note: 9/1/12 - name: C3H6OOH2-1 composition: {H: 7, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [2.38465746, 0.0442928555, -3.50977087e-05, 1.53695144e-08, -2.81167824e-12, -1809.79612, 16.9923285] - [13.6645362, 0.0154329764, -5.29285952e-06, 8.23001262e-10, -4.77931121e-14, -5582.95862, -42.8758364] note: 9/1/12 - name: C3H6OOH1-2O2 composition: {H: 7, C: 3, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [3.99085043, 0.0531865338, -4.28597948e-05, 1.77187019e-08, -2.92768695e-12, -2.02143526e+04, 13.4150719] - [19.104498, 0.01440761, -4.72127814e-06, 7.12631642e-10, -4.0557849e-14, -2.5027051e+04, -66.3747978] note: 9/1/12 - name: C3H6OOH1-3O2 composition: {H: 7, C: 3, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [5.5693335, 0.0468523421, -3.58917784e-05, 1.43314525e-08, -2.29776083e-12, -1.86065694e+04, 7.18655005] - [18.1661664, 0.0147644887, -4.74842743e-06, 7.06972467e-10, -3.98305587e-14, -2.26256376e+04, -59.3719393] note: 9/1/12 - name: C3H6OOH2-1O2 composition: {H: 7, C: 3, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [3.99085043, 0.0531865338, -4.28597948e-05, 1.77187019e-08, -2.92768695e-12, -2.02143526e+04, 13.4150719] - [19.104498, 0.01440761, -4.72127814e-06, 7.12631642e-10, -4.0557849e-14, -2.5027051e+04, -66.3747978] note: 9/1/12 - name: C3KET12 composition: {H: 6, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.03882879, 0.053418008, -4.47684141e-05, 1.9465168e-08, -3.45055244e-12, -3.70308881e+04, 25.6511209] - [17.018776, 0.0132097361, -4.67054741e-06, 7.4141177e-10, -4.36869787e-14, -4.23572589e+04, -59.2615939] note: 10/17/12 - name: C3KET13 composition: {H: 6, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1508.0, 5000.0] data: - [4.74956819, 0.0314080991, -6.83838427e-06, -5.67123901e-09, 2.27686972e-12, -3.5192457e+04, 9.83753744] - [17.3612692, 0.0132330813, -4.7533211e-06, 7.62529227e-10, -4.52613717e-14, -4.0624806e+04, -61.7768199] note: 10/17/12 - name: C3H51-2,3OOH composition: {H: 7, C: 3, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [2.55619708, 0.0613504487, -5.23205391e-05, 2.28208029e-08, -4.02231508e-12, -1.31353414e+04, 22.1043799] - [21.2378169, 0.0139519596, -4.94539222e-06, 7.86381389e-10, -4.63925564e-14, -1.92864584e+04, -76.9636561] note: 8/26/3THRM - name: C3H52-1,3OOH composition: {H: 7, C: 3, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1379.0, 5000.0] data: - [4.12253742, 0.0519553611, -3.83733727e-05, 1.45851637e-08, -2.29820536e-12, -1.22759164e+04, 14.8367359] - [20.2817964, 0.0148155431, -5.25503386e-06, 8.35963453e-10, -4.93308915e-14, -1.80085066e+04, -72.2688262] note: 8/26/3THRM - name: C3H5O1-2OOH-3 composition: {H: 6, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1432.0, 5000.0] data: - [-3.25001215, 0.0665787151, -6.18859778e-05, 2.84638649e-08, -5.08511634e-12, -2.2237124e+04, 43.038128] - [15.7042382, 0.0130255692, -4.23544254e-06, 6.35555595e-10, -3.60110207e-14, -2.77269333e+04, -55.1895464] note: 10/13THER - name: C3H5O1-3OOH-2 composition: {H: 6, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1434.0, 5000.0] data: - [-4.43959178, 0.0716532928, -7.15032351e-05, 3.51737842e-08, -6.63682938e-12, -2.27250412e+04, 45.6394038] - [14.4493479, 0.013637256, -4.25836513e-06, 6.20006211e-10, -3.4345158e-14, -2.7737236e+04, -50.6099103] note: 10/13THER - name: C3H6O1-2 composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.42806676, 6.25176642e-03, 6.13196311e-05, -8.60387185e-08, 3.51371393e-11, -1.28446646e+04, 10.4244994] - [8.01491079, 0.0173919953, -6.26027968e-06, 1.01188256e-09, -6.06239111e-14, -1.51980838e+04, -18.8279964] note: A01/05 - name: C3H6O1-3 composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.15283752, -0.0186401716, 1.29980652e-04, -1.58629974e-07, 6.20668783e-11, -1.13243512e+04, 4.73561224] - [6.80716906, 0.0188824545, -6.79082475e-06, 1.09713919e-09, -6.57154952e-14, -1.36547629e+04, -13.5382154] note: A11/04 - name: C3H6 composition: {H: 6, C: 3} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 6000.0] data: - [-1.54606737, 0.0436553128, -5.61392417e-05, 4.98421927e-08, -1.84798923e-11, 2070.56233, 29.9232495] - [6.59032304, 0.0152592866, -5.30369441e-06, 8.35510888e-10, -4.91215549e-14, -247.481113, -11.5748238] note: 8/12/15 - name: C3H5-A composition: {H: 5, C: 3} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 6000.0] data: - [-3.32899442, 0.0538423469, -7.65500752e-05, 6.35512285e-08, -2.14283003e-11, 2.03420628e+04, 36.8038362] - [7.37604097, 0.0123449782, -4.26463882e-06, 6.69045835e-10, -3.92202554e-14, 1.7733296e+04, -16.1758204] note: 8/12/15 - name: C3H5-S composition: {H: 5, C: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [1.61793372, 0.0244803904, -1.41856503e-05, 4.16402233e-09, -4.90904795e-13, 3.04291037e+04, 16.6341443] - [7.95954498, 0.0111163183, -3.75197834e-06, 5.7724626e-10, -3.32768957e-14, 2.80567891e+04, -17.9800372] note: 8/12/15 - name: C3H5-T composition: {H: 5, C: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1376.0, 5000.0] data: - [2.29256998, 0.0198527646, -6.42635654e-06, -5.90016395e-10, 5.05491095e-13, 2.85773377e+04, 13.9407124] - [7.69949212, 0.0117803985, -4.07791749e-06, 6.38119222e-10, -3.72229675e-14, 2.61747145e+04, -16.830589] note: 8/12/15 - name: CC3H6 composition: {H: 6, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.83278674, -5.21028618e-03, 9.2958321e-05, -1.22753194e-07, 4.99191366e-11, 5195.20048, 10.8306333] - [6.21663437, 0.0165393591, -5.90075838e-06, 9.48095199e-10, -5.65661522e-14, 2959.37491, -13.6041009] - name: C3H5O composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.824068673, 0.0346749909, -2.51786795e-05, 9.56781953e-09, -1.48085302e-12, 1.04203725e+04, 22.828307] - [10.2638186, 0.0117609932, -3.89837957e-06, 5.92650815e-10, -3.38867417e-14, 7259.38472, -27.5108651] note: KPS12 - name: CH2CHOCH2 composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [1.15350351, 0.0351253596, -2.50071619e-05, 9.00715632e-09, -1.32376643e-12, 1.08300872e+04, 21.0606652] - [12.0076931, 0.0105055204, -3.69920541e-06, 5.85629983e-10, -3.44431587e-14, 6973.11613, -37.5189859] note: 8/8/15 - name: CH3CHCHO composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [1.47166733, 0.0269251618, -1.00248013e-05, -1.13421435e-09, 1.03416658e-12, -4041.42023, 18.8722472] - [10.6781476, 0.0112805711, -3.89010759e-06, 6.07617268e-10, -3.54120848e-14, -7732.34209, -32.4971238] - name: AC4H7OOH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.33470633, 0.052783144, -3.5886136e-05, 1.32495013e-08, -2.06619289e-12, -8878.91782, 24.3857336] - [14.7661443, 0.0212235231, -7.0940339e-06, 1.08423759e-09, -6.22145708e-14, -1.35617411e+04, -47.7449138] note: 6/17/13THERM - name: C3H6OH1-2 composition: {H: 7, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [0.505207596, 0.0363869988, -2.15530901e-05, 6.45584786e-09, -7.71267046e-13, -9269.8084, 27.9804349] - [10.0338281, 0.0160227373, -5.41658448e-06, 8.34191172e-10, -4.81215988e-14, -1.27912397e+04, -23.9034395] note: 9/1/12 - name: CH3CHCO composition: {H: 4, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [1.48380119, 0.0322203013, -2.70250033e-05, 1.20499164e-08, -2.18365931e-12, -1.1527654e+04, 17.1552068] - [10.0219123, 9.569663e-03, -3.26221644e-06, 5.05231706e-10, -2.92593257e-14, -1.42482738e+04, -27.7829973] note: 03/03/95THERM - name: AC3H5OOH composition: {H: 6, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [298.0, 1000.0, 6000.0] data: - [3.18124993, 0.0435233041, -5.16277353e-05, 4.32011427e-08, -1.57714983e-11, -7635.21503, 12.1725683] - [12.0838649, 0.0147946591, -5.13212591e-06, 8.07504999e-10, -4.74394983e-14, -1.02184463e+04, -33.6434791] note: GOLDSMITH - name: C3H6OH2-1 composition: {H: 7, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.0967036, 0.0380727565, -2.75022497e-05, 1.07477493e-08, -1.74895773e-12, -1.40764487e+04, 22.2475799] - [11.2222277, 0.0136444398, -4.51406709e-06, 7.10523275e-10, -4.22690392e-14, -1.75350136e+04, -31.8911926] note: 8/9/4THERM - name: HOC3H6O2 composition: {H: 7, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [2.84960487, 0.0477244552, -3.60392974e-05, 1.43479922e-08, -2.33507634e-12, -2.82106103e+04, 17.6478537] - [15.6948113, 0.0157703692, -5.30501726e-06, 8.14307835e-10, -4.68666193e-14, -3.2454084e+04, -50.6084117] note: 9/1/12 - name: SC3H5OH composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [-0.0353977226, 0.0434969453, -3.74479918e-05, 1.70906074e-08, -3.13775054e-12, -2.02502608e+04, 24.1528201] - [11.1222064, 0.012774541, -4.25315532e-06, 6.48216484e-10, -3.7119085e-14, -2.36690795e+04, -34.1335182] note: 2/3/9 - name: IC3H5OH composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1374.0, 5000.0] data: - [1.58376391, 0.0316215366, -1.73664942e-05, 4.18927663e-09, -2.7989962e-13, -2.12643496e+04, 18.8313766] - [10.7381025, 0.0131698194, -4.41529622e-06, 6.77009837e-10, -3.89608901e-14, -2.47298321e+04, -31.363405] note: 8/1/95THERM - name: C3H5OH composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.15011905, 0.0128538274, 4.28438434e-05, -6.67818707e-08, 2.80408237e-11, -1.66413668e+04, 13.5066359] - [8.72477114, 0.0163942712, -5.90852993e-06, 9.53262253e-10, -5.7031801e-14, -1.90496618e+04, -19.7198674] note: T06/10 - name: CH2CCH2OH composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1372.0, 5000.0] data: - [2.88422544, 0.0242428071, -1.14152268e-05, 1.71775334e-09, 1.42177454e-13, 1.17935615e+04, 15.2102335] - [9.70702027, 0.011397266, -3.77993962e-06, 5.75209277e-10, -3.29229125e-14, 9132.12884, -22.5012933] note: 9/8/95THERM - name: C3H4-P composition: {H: 4, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.6803869, 0.015799651, 2.5070596e-06, -1.3657623e-08, 6.6154285e-12, 2.0802374e+04, 9.8769351] - [6.02524, 0.011336542, -4.0223391e-06, 6.4376063e-10, -3.8299635e-14, 1.9620942e+04, -8.6043785] note: T2/90 - name: C3H4-A composition: {H: 4, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.6130445, 0.012122575, 1.853988e-05, -3.4525149e-08, 1.5335079e-11, 2.1541567e+04, 10.226139] - [6.3168722, 0.011133728, -3.9629378e-06, 6.3564238e-10, -3.787554e-14, 2.0117495e+04, -10.995766] note: L8/89 - name: C3H3 composition: {H: 3, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [1.35110873, 0.0327411291, -4.73827407e-05, 3.7631022e-08, -1.18541128e-11, 4.07679941e+04, 15.2058598] - [7.14221719, 7.61902211e-03, -2.6746003e-06, 4.24914904e-10, -2.51475443e-14, 3.95709594e+04, -12.584869] note: T7/11 - name: CC3H4 composition: {H: 4, C: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [-0.024621047, 0.023197215, -1.8474357e-06, -1.5927593e-08, 8.6846155e-12, 3.2334137e+04, 22.729762] - [6.6999931, 0.010357372, -3.4551167e-06, 5.0652949e-10, -2.6682276e-14, 3.0199051e+04, -13.37877] note: T12/81 - name: C3H2 composition: {H: 2, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.43417332, 0.0173013063, -1.18294047e-05, 1.02756396e-09, 1.62626314e-12, 7.69074892e+04, 12.101223] - [6.67324762, 5.57728845e-03, -1.99180164e-06, 3.20289156e-10, -1.91216272e-14, 7.57571184e+04, -9.72894405] note: T12/00 - name: H2CCC(S) composition: {H: 2, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1500.0, 5000.0] data: - [3.7229726, 9.2589854e-03, -2.3006191e-06, -1.0200808e-09, 4.5374357e-13, 6.4877289e+04, 5.6865936] - [6.4888762, 5.3112789e-03, -1.780949e-06, 2.7252642e-10, -1.561959e-14, 6.3661864e+04, -10.064283] note: '0' - name: C3H2(S) composition: {H: 2, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 900.0, 5000.0] data: - [5.2976482, 0.016987466, -2.4266517e-05, 1.8653681e-08, -5.5763001e-12, 6.7240466e+04, -3.7540041] - [7.764257, 4.7112774e-03, -1.6170637e-06, 2.5472406e-10, -1.5038572e-14, 6.6849672e+04, -15.098549] note: '0' - name: C3H2C composition: {H: 2, C: 3} thermo: model: NASA7 temperature-ranges: [200.0, 1500.0, 5000.0] data: - [1.1295888, 0.017287401, -1.1366823e-05, 3.4569296e-09, -3.6615951e-13, 5.841908e+04, 17.331448] - [6.563268, 5.2363256e-03, -1.754483e-06, 2.6866106e-10, -1.5428509e-14, 5.6514618e+04, -12.000607] note: '0' - name: PC3H4OH-2 composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [1.42757363, 0.0364825569, -3.18007132e-05, 1.46914605e-08, -2.72331227e-12, 7803.42663, 18.5890339] - [10.7164095, 0.0106066461, -3.5137406e-06, 5.33713932e-10, -3.04901511e-14, 4984.86803, -29.8329329] note: 4/2/13THERM - name: SC3H4OH composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [1.72870561, 0.044101587, -4.7201386e-05, 2.52073596e-08, -5.1337571e-12, 2227.20503, 14.3928257] - [12.0968484, 9.43976596e-03, -3.10773897e-06, 4.69609188e-10, -2.6716571e-14, -385.854894, -37.6795997] note: 3/28/13 - name: C3H3O composition: {H: 3, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 2000.0] data: - [0.875023836, 0.0351184068, -3.89901356e-05, 2.4025575e-08, -6.10883631e-12, 3.20427921e+04, 20.4717253] - [4.19355696, 0.0195625103, -1.2233645e-05, 3.90615061e-09, -5.08539231e-13, 3.14931737e+04, 5.03216224] note: 2/17/14CZHOU - name: C3H3O2H composition: {H: 4, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.09787313, 0.0422717882, -3.83969355e-05, 1.77405069e-08, -3.27674312e-12, 1.03592314e+04, 23.0651783] - [13.8152174, 8.62174763e-03, -3.06710006e-06, 4.88874247e-10, -2.88888385e-14, 6291.82941, -43.9151257] note: 1/31/13 - name: C2HCHO composition: {H: 2, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 2012.0, 5000.0] data: - [4.20776611, 0.0134382727, -5.15442099e-06, -2.24570818e-11, 2.74111284e-13, 1.02117375e+04, 5.43871873] - [7.99952054, 7.07825497e-03, -2.63086819e-06, 4.33073185e-10, -2.62003284e-14, 8718.63156, -15.7226237] note: 1/31/13 - name: C2H5CHO composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1449.0, 5000.0] data: - [2.18895588, 0.0258289987, -6.04170058e-06, -3.70702654e-09, 1.57131095e-12, -2.42671146e+04, 16.149633] - [10.6224453, 0.0135569132, -4.60754771e-06, 7.12755462e-10, -4.12631683e-14, -2.78692266e+04, -31.6628752] note: 8/12/15 - name: C2H5CO composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [6.25722402, -9.17612184e-03, 7.61190493e-05, -9.05514997e-08, 3.46198215e-11, -5916.16484, 2.23330599] - [6.52325448, 0.0154211952, -5.50898157e-06, 8.85889862e-10, -5.28846399e-14, -7196.31634, -5.19862218] note: A10/04 - name: CH2CH2CHO composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1437.0, 5000.0] data: - [2.55799036, 0.0223391941, -4.89741478e-06, -3.58874384e-09, 1.4717503e-12, 453.127696, 16.7016285] - [10.0673122, 0.0114971005, -3.90137798e-06, 6.03029101e-10, -3.48958224e-14, -2750.80876, -25.8818404] - name: C2H3CHO composition: {H: 4, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [0.733844455, 0.0317482671, -2.29599468e-05, 8.42104232e-09, -1.23613478e-12, -9384.73548, 21.0308851] - [9.99155394, 9.82348001e-03, -3.31203088e-06, 5.09524422e-10, -2.9382189e-14, -1.25303509e+04, -28.5168883] note: KPS12 - name: C2H3CO composition: {H: 3, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.65335195, 0.0257402596, -1.89009911e-05, 7.29174972e-09, -1.16083226e-12, 1.02020654e+04, 17.8705872] - [8.86032735, 8.48985205e-03, -2.9035008e-06, 4.50763986e-10, -2.61524281e-14, 7734.89171, -20.6978792] note: KPS12 - name: CH3COCH3 composition: {H: 6, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.20008426, 0.0274019559, -1.31342003e-05, 2.57150371e-09, -6.21509091e-14, -2.79933966e+04, 15.5883508] - [8.87619308, 0.0145700263, -4.8482328e-06, 7.38614777e-10, -4.22831194e-14, -3.06046242e+04, -21.2730484] note: 8/12/15 - name: CH3COCH2 composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [1.13381826, 0.0325095045, -2.10424651e-05, 6.64421151e-09, -8.12618901e-13, -6048.68361, 21.7158655] - [10.9524298, 0.0111458668, -3.86262877e-06, 6.05088857e-10, -3.53293362e-14, -9608.33727, -31.5622776] note: 2/14/13THERM - name: CH3COCH2O2 composition: {H: 5, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.19378141, 0.0498027161, -4.17999508e-05, 1.74527607e-08, -2.88198761e-12, -1.93244224e+04, 26.7877493] - [16.5756401, 0.0106465489, -3.61368681e-06, 5.59053564e-10, -3.23832271e-14, -2.42541401e+04, -54.5304899] note: 2/14/13THERM - name: CH3COCH2O composition: {H: 5, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 2002.0, 5000.0] data: - [5.85960137, 0.0178954926, 7.41506398e-07, -5.40032753e-09, 1.47393197e-12, -1.90714739e+04, 2.70987883] - [9.84061707, 0.0159181106, -5.85164644e-06, 9.56160073e-10, -5.75477263e-14, -2.11214823e+04, -21.2330791] note: 2/8/13THERM - name: C3KET21 composition: {H: 6, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-0.874352903, 0.0612501498, -5.51474542e-05, 2.48491014e-08, -4.42613472e-12, -3.58060819e+04, 35.9306224] - [17.5768076, 0.0120311704, -4.11633942e-06, 6.40149366e-10, -3.72127562e-14, -4.15502347e+04, -60.90971] note: 2/14/13THERM - name: C4H10 composition: {H: 10, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-0.0920862487, 0.0469703816, -2.54761945e-05, 6.35894738e-09, -5.16005946e-13, -1.69556758e+04, 24.9101571] - [12.4923813, 0.0215951935, -7.34277611e-06, 1.13529859e-09, -6.56730149e-14, -2.17598985e+04, -44.1546866] note: 8/12/15 - name: PC4H9 composition: {H: 9, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.409644702, 0.0429511341, -2.36582809e-05, 6.15744917e-09, -5.64300671e-13, 7743.1915, 25.5312526] - [11.8547949, 0.0196962095, -6.71054229e-06, 1.03891144e-09, -6.01513573e-14, 3381.82243, -37.2343446] note: 8/12/15 - name: SC4H9 composition: {H: 9, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1682.0, 5000.0] data: - [0.942662332, 0.037741453, -1.58911963e-05, 1.75489317e-09, 2.8972575e-13, 6205.42636, 24.2126605] - [9.25139144, 0.0224301385, -7.82648592e-06, 1.2355946e-09, -7.26249864e-14, 3111.48804, -21.6080436] note: 8/12/15 - name: PC4H9O composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.84659093, 0.0461054365, -2.44856516e-05, 5.11293268e-09, -1.07538298e-13, -9092.06746, 19.5237441] - [15.3371588, 0.0192789649, -6.56856538e-06, 1.01724003e-09, -5.89183466e-14, -1.41958782e+04, -54.5071855] - name: SC4H9O composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [2.01772535, 0.0470083969, -2.74726645e-05, 7.36290028e-09, -6.30414237e-13, -1.11892176e+04, 17.4371746] - [15.2130012, 0.0190029969, -6.39004701e-06, 9.80774402e-10, -5.64493733e-14, -1.59888805e+04, -54.3195369] - name: PC4H9O2 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [1.80541406, 0.052649306, -3.30870383e-05, 1.04593484e-08, -1.32305701e-12, -1.03866773e+04, 22.4829685] - [16.6120049, 0.0204752336, -7.01415262e-06, 1.0901051e-09, -6.32913959e-14, -1.57901735e+04, -57.9272276] note: 8/12/15 - name: SC4H9O2 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.27751066, 0.0544334651, -3.82988187e-05, 1.42447767e-08, -2.18864515e-12, -1.259091e+04, 18.3237264] - [16.8209433, 0.0198834074, -6.71755569e-06, 1.03411636e-09, -5.96371075e-14, -1.7581535e+04, -59.5731156] - name: PC4H9O2H composition: {H: 10, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.04177717, 0.0585996659, -3.84212378e-05, 1.28728231e-08, -1.75491358e-12, -2.707442e+04, 25.5179528] - [17.5610913, 0.0217832847, -7.46366287e-06, 1.16012068e-09, -6.73630029e-14, -3.30036118e+04, -63.8547212] note: 8/12/15 - name: SC4H9O2H composition: {H: 10, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.44010868, 0.0605300206, -4.36262678e-05, 1.66226146e-08, -2.6155693e-12, -2.92631492e+04, 21.7354113] - [17.8075939, 0.0212546017, -7.20960281e-06, 1.11291271e-09, -6.43060022e-14, -3.48455718e+04, -65.801147] - name: C4H8OOH1-2 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.91878364, 0.0486143951, -2.81342168e-05, 7.64456491e-09, -7.32889491e-13, -3944.64787, 18.9326241] - [16.7810269, 0.0199677597, -6.8525722e-06, 1.06628911e-09, -6.19616154e-14, -9147.6276, -56.8667893] - name: C4H8OOH1-3 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.46292502, 0.0470131194, -2.42145198e-05, 4.6540781e-09, 1.62198662e-14, -3957.87917, 22.4569578] - [16.1247782, 0.020242098, -6.88631475e-06, 1.06534945e-09, -6.16599545e-14, -9168.02012, -52.6575415] - name: C4H8OOH1-4 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.35984095, 0.0552812385, -3.75640846e-05, 1.32624209e-08, -1.93623296e-12, -2344.55867, 26.3197893] - [16.9217927, 0.0199305696, -6.85727522e-06, 1.06879474e-09, -6.21774931e-14, -7879.20857, -57.6630146] - name: C4H8OOH2-1 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [2.32205003, 0.055503228, -3.97237996e-05, 1.47353739e-08, -2.22481777e-12, -4673.31585, 19.8332327] - [17.764825, 0.0187777052, -6.36410476e-06, 9.81958228e-10, -5.67252066e-14, -9938.51667, -62.816959] - name: C4H8OOH2-3 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [3.30289851, 0.0508231524, -3.39615358e-05, 1.17622237e-08, -1.66012808e-12, -6136.71017, 15.1726178] - [17.0353922, 0.0192729887, -6.50684653e-06, 1.00126173e-09, -5.77270961e-14, -1.09437234e+04, -58.7403112] - name: C4H8OOH2-4 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [1.82672511, 0.0569912331, -4.24389492e-05, 1.67119278e-08, -2.70635765e-12, -4546.29884, 22.2051948] - [17.2354039, 0.0191946365, -6.49946502e-06, 1.00210964e-09, -5.78559962e-14, -9711.58144, -59.898615] - name: C4H8O1-2 composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1463.0, 5000.0] data: - [-4.29657099, 0.0675906816, -5.89614134e-05, 2.59401158e-08, -4.45926746e-12, -1.48799944e+04, 44.7755567] - [14.1886108, 0.016316274, -5.16581368e-06, 7.60173986e-10, -4.24548403e-14, -2.02839382e+04, -51.2817914] - name: C4H8O1-3 composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1447.0, 5000.0] data: - [-5.37284363, 0.0662224444, -5.35318273e-05, 2.19451842e-08, -3.54479816e-12, -1.54144887e+04, 49.8345472] - [13.2076917, 0.0177467973, -5.69933762e-06, 8.47771212e-10, -4.77345874e-14, -2.11717546e+04, -47.838642] - name: C4H8O1-4 composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1484.0, 5000.0] data: - [-7.78117916, 0.069840506, -5.4531592e-05, 2.13029617e-08, -3.24666872e-12, -2.2899634e+04, 61.7620955] - [12.2763349, 0.018910592, -6.09113637e-06, 9.08066245e-10, -5.12149503e-14, -2.92260872e+04, -44.1235671] - name: C4H8O2-3 composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [-4.48183187, 0.068931336, -6.15371646e-05, 2.73743747e-08, -4.85890996e-12, -1.68924193e+04, 43.8882874] - [10.6341771, 0.0241442268, -1.13123977e-05, 2.25480711e-09, -1.54043041e-13, -2.10383343e+04, -33.6763636] - name: C4H8OOH1-2O2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.02241018, 0.0653862812, -4.89645658e-05, 1.90437784e-08, -3.02309317e-12, -2.25805572e+04, 20.5729328] - [21.573475, 0.0204528589, -6.99497777e-06, 1.08597818e-09, -6.30071127e-14, -2.88428166e+04, -78.4560716] - name: C4H8OOH1-3O2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.02241018, 0.0653862812, -4.89645658e-05, 1.90437784e-08, -3.02309317e-12, -2.25805572e+04, 20.5729328] - [21.573475, 0.0204528589, -6.99497777e-06, 1.08597818e-09, -6.30071127e-14, -2.88428166e+04, -78.4560716] - name: C4H8OOH1-4O2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.91974455, 0.0634948347, -4.29699499e-05, 1.42283155e-08, -1.84506244e-12, -2.04867301e+04, 22.6279495] - [22.639337, 0.0198017374, -6.92349554e-06, 1.09100182e-09, -6.39617643e-14, -2.75442161e+04, -84.0747892] - name: C4H8OOH2-1O2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.02241018, 0.0653862812, -4.89645658e-05, 1.90437784e-08, -3.02309317e-12, -2.25805572e+04, 20.5729328] - [21.573475, 0.0204528589, -6.99497777e-06, 1.08597818e-09, -6.30071127e-14, -2.88428166e+04, -78.4560716] - name: C4H8OOH2-3O2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [3.34683971, 0.0667468082, -5.25088611e-05, 2.14288389e-08, -3.53381793e-12, -2.47340662e+04, 17.3189003] - [21.9463055, 0.0197307584, -6.6576538e-06, 1.02424556e-09, -5.90486257e-14, -3.07772334e+04, -81.2053531] - name: C4H8OOH2-4O2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.02241018, 0.0653862812, -4.89645658e-05, 1.90437784e-08, -3.02309317e-12, -2.25805572e+04, 20.5729328] - [21.573475, 0.0204528589, -6.99497777e-06, 1.08597818e-09, -6.30071127e-14, -2.88428166e+04, -78.4560716] - name: C4H71-2,4OOH composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [2.99387028, 0.0652913914, -4.87958562e-05, 1.88107554e-08, -2.95256716e-12, -1.46021097e+04, 22.7763716] - [21.8629952, 0.0199359398, -6.85103949e-06, 1.06712096e-09, -6.20561893e-14, -2.10042547e+04, -78.0706874] - name: C4H72-1,3OOH composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [3.85542428, 0.0605523559, -4.18122063e-05, 1.46680029e-08, -2.07881996e-12, -1.60359412e+04, 18.7734959] - [21.4626449, 0.0202946207, -6.97889021e-06, 1.08750673e-09, -6.32605387e-14, -2.22196721e+04, -76.0671568] - name: C4H72-1,4OOH composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [3.41714555, 0.0589885977, -3.76843121e-05, 1.18450422e-08, -1.46347291e-12, -1.38437952e+04, 22.7094787] - [21.0228668, 0.0210127561, -7.30349553e-06, 1.14623341e-09, -6.70076491e-14, -2.02908167e+04, -72.9927491] - name: C4H71-2,3OOH composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [3.30790561, 0.066651324, -5.21744859e-05, 2.10434152e-08, -3.42495389e-12, -1.67536738e+04, 19.5806784] - [22.2828679, 0.0192253507, -6.52860872e-06, 1.00881573e-09, -5.83408336e-14, -2.29719991e+04, -81.1231836] - name: C4H7O1-3OOH-4 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-5.40949665, 0.0805102667, -6.6464603e-05, 2.73711905e-08, -4.44856733e-12, -2.5300524e+04, 55.6327196] - [18.7250111, 0.0188463312, -6.40165949e-06, 9.89754621e-10, -5.72727585e-14, -3.2982573e+04, -71.8225468] - name: C4H7O1-3OOH-2 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-4.68244067, 0.0803419743, -6.672647e-05, 2.740813e-08, -4.41623778e-12, -2.75307409e+04, 50.4193128] - [19.7110479, 0.0179060432, -6.05724664e-06, 9.34110479e-10, -5.39628469e-14, -3.52532541e+04, -78.3129016] - name: C4H7O1-2OOH-4 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-3.06056578, 0.0752777235, -6.16382083e-05, 2.51520765e-08, -4.05109146e-12, -2.49310387e+04, 44.8871201] - [19.6187267, 0.0177382423, -6.03563743e-06, 9.34268374e-10, -5.41073277e-14, -3.21917914e+04, -75.0295988] - name: C4H7O1-4OOH-2 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1470.0, 5000.0] data: - [-5.17426936, 0.0789225917, -6.62654132e-05, 2.77698767e-08, -4.5437784e-12, -3.53780833e+04, 53.5508489] - [17.4906412, 0.0187794733, -6.05491558e-06, 9.03185679e-10, -5.0957187e-14, -4.22716632e+04, -65.186033] - name: C4H7O1-2OOH-3 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1435.0, 5000.0] data: - [-0.944964311, 0.0731026695, -6.71227799e-05, 3.1225229e-08, -5.67206759e-12, -2.74510619e+04, 32.5427282] - [18.3476383, 0.0172627711, -5.53440131e-06, 8.21396496e-10, -4.61479654e-14, -3.29223599e+04, -66.9919656] - name: C4H7O2-3OOH-1 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-3.04171082, 0.077525474, -6.55776743e-05, 2.74944445e-08, -4.52476822e-12, -2.70343494e+04, 43.313681] - [20.3028185, 0.0169331534, -5.71128715e-06, 8.79005552e-10, -5.07088176e-14, -3.4345147e+04, -79.5919117] - name: C4H72-1OOH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [1.29755275, 0.0559252255, -4.08890003e-05, 1.54880526e-08, -2.42412478e-12, -1.16046928e+04, 24.3621382] - [18.012274, 0.0170340943, -5.89884086e-06, 9.23962123e-10, -5.39539803e-14, -1.74585465e+04, -65.5209757] - name: NC4KET12 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.724231793, 0.0726648886, -6.0477919e-05, 2.54348857e-08, -4.30152907e-12, -3.72936909e+04, 35.6276963] - [21.7577434, 0.0164473301, -5.79961988e-06, 9.19149624e-10, -5.41037382e-14, -4.47115295e+04, -83.7725285] - name: NC4KET13 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [3.31775682, 0.0528482064, -3.43211665e-05, 1.04562704e-08, -1.12796519e-12, -3.94868388e+04, 15.8443308] - [19.3085398, 0.0173455091, -5.85046818e-06, 9.00297947e-10, -5.19274609e-14, -4.51023813e+04, -70.4869509] - name: NC4KET14 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [2.92378737, 0.0507578011, -2.88360718e-05, 6.64649914e-09, -2.83907499e-13, -3.72946444e+04, 19.6328202] - [18.9231898, 0.0182270124, -6.27434124e-06, 9.78729382e-10, -5.69844333e-14, -4.32508875e+04, -67.8717188] - name: NC4KET21 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.388449068, 0.0692735051, -5.58731127e-05, 2.25791086e-08, -3.63900158e-12, -3.86875801e+04, 35.294809] - [21.0786402, 0.0161788162, -5.53076294e-06, 8.59641186e-10, -4.99535144e-14, -4.57563821e+04, -78.8014765] - name: NC4KET23 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [3.56926969, 0.0520285891, -3.64134216e-05, 1.32007682e-08, -1.93576774e-12, -4.30650503e+04, 14.8669401] - [17.6877593, 0.0184820224, -6.18384585e-06, 9.45792334e-10, -5.42981801e-14, -4.78594254e+04, -60.6681612] - name: NC4KET24 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [3.12062686, 0.0501343936, -3.1019495e-05, 9.36512355e-09, -1.07548923e-12, -4.0864427e+04, 19.6071994] - [17.4146206, 0.0192744267, -6.57971403e-06, 1.02023879e-09, -5.91418353e-14, -4.60663138e+04, -58.0320911] - name: C4H71-3OOH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-1.50977396, 0.0685369305, -5.75193633e-05, 2.43179107e-08, -4.09788488e-12, -1.18018961e+04, 35.0420113] - [19.2985494, 0.0154534427, -5.25460431e-06, 8.13772446e-10, -4.71689947e-14, -1.8500348e+04, -74.9926639] - name: C4H71-3,4OOH composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.56890026, 0.0671962184, -5.16999792e-05, 2.05770379e-08, -3.3291431e-12, -1.451256e+04, 24.6332539] - [21.8394783, 0.0198802807, -6.81505369e-06, 1.05975117e-09, -6.15560073e-14, -2.09468667e+04, -77.9984909] - name: C4H72-3,4OOH composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [3.85542428, 0.0605523559, -4.18122063e-05, 1.46680029e-08, -2.07881996e-12, -1.60359412e+04, 18.7734959] - [21.4626449, 0.0202946207, -6.97889021e-06, 1.08750673e-09, -6.32605387e-14, -2.22196721e+04, -76.0671568] - name: HO2CH2CHO composition: {H: 4, C: 2, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-1.32768631, 0.0521618601, -4.97327645e-05, 2.31272366e-08, -4.20787867e-12, -2.90608844e+04, 36.1860491] - [15.1554685, 7.5724e-03, -2.72693024e-06, 4.38217189e-10, -2.60434287e-14, -3.4141968e+04, -50.1255068] note: 9/8/14 - name: IC4H10 composition: {H: 10, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-1.07413829, 0.052461832, -3.42407949e-05, 1.18817533e-08, -1.73238254e-12, -1.79218932e+04, 27.4851665] - [12.6422737, 0.0214133551, -7.26711536e-06, 1.12207226e-09, -6.48434177e-14, -2.28293782e+04, -46.6059659] note: 8/12/15 - name: IC4H9 composition: {H: 9, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [0.120802408, 0.0473187324, -3.16440251e-05, 1.14229699e-08, -1.74784642e-12, 6840.32915, 24.4291032] - [12.3261837, 0.019205777, -6.52063623e-06, 1.00704497e-09, -5.82038734e-14, 2509.95714, -41.3478742] note: 8/12/15 - name: TC4H9 composition: {H: 9, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [1.05841769, 0.0341133739, -9.03156779e-06, -2.95313136e-09, 1.41436845e-12, 4226.99258, 22.3965051] - [10.2682832, 0.0209965262, -7.14945754e-06, 1.10648358e-09, -6.40498314e-14, 157.542675, -30.0960941] note: 8/12/15 - name: TC4H9O composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.770571, 0.0268033175, 4.1271836e-05, -7.22054739e-08, 3.02642276e-11, -1.27079262e+04, 12.1532856] - [12.7371509, 0.0233707342, -8.50516678e-06, 1.38519973e-09, -8.34398061e-14, -1.6694015e+04, -45.3156321] note: T08/04 - name: IC4H9O composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [3.80297372, 0.0156874209, 6.81105412e-05, -9.83346774e-08, 3.95261902e-11, -1.00832243e+04, 9.78963305] - [11.6309708, 0.0247981574, -9.01550536e-06, 1.4671472e-09, -8.83214518e-14, -1.37854612e+04, -38.1956151] note: A08/04 - name: IC4H8O composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-5.02573822, 0.075134096, -6.88668822e-05, 3.12223247e-08, -5.60128818e-12, -3.07481413e+04, 29.6284295] - [14.0433578, 0.0205733637, -9.0951922e-06, 1.73417298e-09, -1.14908544e-13, -3.62275308e+04, -69.0009668] note: 9/1/12 - name: IC3H7CHO composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-0.273021382, 0.0489696307, -3.12770049e-05, 1.00052945e-08, -1.27512074e-12, -2.76054737e+04, 28.3451139] - [13.7501656, 0.0183126722, -6.28572629e-06, 9.78250756e-10, -5.68538653e-14, -3.26936771e+04, -47.7270548] note: 2/22/96THERM - name: IC3H7CO composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.503452639, 0.044160751, -2.82139091e-05, 8.93548675e-09, -1.11327422e-12, -9077.55468, 26.1991461] - [13.3305736, 0.016187393, -5.56711402e-06, 8.67575951e-10, -5.04696549e-14, -1.37307001e+04, -43.3958746] note: 2/22/96THERM - name: IC3H6CHO composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.521481767, 0.0443114357, -2.86617314e-05, 9.30319894e-09, -1.20761563e-12, -2996.77086, 26.818213] - [13.310225, 0.0162097959, -5.57575891e-06, 8.69003718e-10, -5.05554202e-14, -7621.77931, -42.5050854] note: 2/22/96THERM - name: TC3H6CHO composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [1.87052762, 0.0414869677, -2.66815701e-05, 9.0153161e-09, -1.27870633e-12, -8977.30744, 16.6174178] - [13.1013047, 0.0166391865, -5.68457623e-06, 8.81808351e-10, -5.11290161e-14, -1.30638647e+04, -44.2705813] note: 2/22/96THERM - name: IC3H5CHO composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.09372823, 0.0443315368, -3.41918451e-05, 1.39369607e-08, -2.3379146e-12, -1.56745978e+04, 19.4458467] - [13.3892118, 0.013911542, -4.75820958e-06, 7.38736618e-10, -4.28606559e-14, -1.97917448e+04, -46.0146004] - name: TC3H6O2CHO composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [2.17883383, 0.0541595832, -3.83435886e-05, 1.38308104e-08, -2.04190147e-12, -2.27394154e+04, 20.0751264] - [18.5534443, 0.0168774389, -5.90752965e-06, 9.31518085e-10, -5.46345187e-14, -2.85447191e+04, -68.2486667] note: 8/2/95THERM - name: IC3H5O2HCHO composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.0598477, 0.0582331716, -4.376721e-05, 1.63249918e-08, -2.43462051e-12, -1.6349625e+04, 21.3687921] - [20.6288832, 0.0148625539, -5.25305276e-06, 8.33772951e-10, -4.91277401e-14, -2.27589076e+04, -78.2962888] note: 8/2/95THERM - name: TC3H6O2HCO composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.03864428, 0.0580421003, -4.32123528e-05, 1.58792094e-08, -2.32209543e-12, -2.24284673e+04, 20.368099] - [20.6472678, 0.01485265, -5.25104875e-06, 8.33619219e-10, -4.91256069e-14, -2.88719869e+04, -79.5951389] note: 8/2/95THERM - name: TC3H6OCHO composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [0.370830259, 0.0538475661, -3.82477565e-05, 1.32882237e-08, -1.7922873e-12, -2.18391262e+04, 25.8142112] - [17.0371287, 0.0154400645, -5.28332886e-06, 8.21085347e-10, -4.76898429e-14, -2.75871941e+04, -63.727123] note: 8/25/95THERM - name: IC3H6CO composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [2.28039055, 0.0417016989, -3.25089661e-05, 1.37243419e-08, -2.40573132e-12, -1.63939712e+04, 13.8187714] - [13.2548232, 0.0140142787, -4.78910215e-06, 7.42924342e-10, -4.30737566e-14, -2.00529779e+04, -44.4810221] note: 03/03/95THERM - name: IC3H5CO composition: {H: 5, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.8730699, 0.0395188508, -3.11404053e-05, 1.28844447e-08, -2.18165308e-12, 2852.70691, 16.8774016] - [12.9634401, 0.0117954996, -4.04361488e-06, 6.28771516e-10, -3.65209867e-14, -826.519462, -42.0562575] - name: IC3H4CHO-A composition: {H: 5, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.764345054, 0.0445242412, -3.6103372e-05, 1.48295287e-08, -2.4380929e-12, 2447.32544, 20.8541848] - [14.1736959, 0.0109161978, -3.69020878e-06, 5.69228087e-10, -3.29023246e-14, -1928.67979, -50.266374] - name: SC4H7OH-I composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [2.70103499, 0.041795018, -2.67860575e-05, 9.38191037e-09, -1.41171285e-12, -2.7356119e+04, 13.5316306] - [13.0299481, 0.0183782479, -6.18529878e-06, 9.49578099e-10, -5.46526348e-14, -3.10723026e+04, -42.2891828] note: L2/00 - name: IC4H9O2 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1432.0, 5000.0] data: - [1.77219624, 0.0534032789, -3.3104181e-05, 9.24465657e-09, -8.01706642e-13, -1.17768774e+04, 20.9581481] - [17.879387, 0.0182474607, -6.01252193e-06, 9.11106794e-10, -5.20018932e-14, -1.74569774e+04, -66.1552973] note: 9/1/12 - name: TC4H9O2 composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [2.63892371, 0.0544717499, -3.75504698e-05, 1.4047925e-08, -2.279686e-12, -1.47598933e+04, 14.0325533] - [18.0863238, 0.0199282971, -6.98287309e-06, 1.10171726e-09, -6.46381057e-14, -2.04420664e+04, -69.7533212] note: 9/1/12 - name: IC4H8O2H-I composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [0.18643262, 0.0626430177, -4.83690886e-05, 1.88657148e-08, -2.91189385e-12, -3590.86611, 29.7635367] - [18.3915486, 0.0173042831, -5.66841018e-06, 8.55414265e-10, -4.86781778e-14, -9485.69748, -66.7673286] note: 9/1/12 - name: IC4H8O2H-T composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.84374544, 0.0436800978, -2.07599526e-05, 2.51709167e-09, 5.41306513e-13, -6507.66215, 13.4244877] - [16.9753885, 0.018519801, -6.09075415e-06, 9.21673609e-10, -5.25502501e-14, -1.14812757e+04, -58.8259039] note: 9/1/12 - name: TC4H8O2H-I composition: {H: 9, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1379.0, 5000.0] data: - [3.54378349, 0.0525201369, -3.69898493e-05, 1.44634925e-08, -2.4753605e-12, -6981.83185, 12.7623539] - [18.1415374, 0.0194699499, -6.82750014e-06, 1.07773311e-09, -6.32519099e-14, -1.23570939e+04, -66.3491602] note: 9/1/12 - name: CC4H8O composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1431.0, 5000.0] data: - [-6.56746688, 0.0787298554, -7.33065478e-05, 3.40602701e-08, -6.15674656e-12, -2.71582518e+04, 38.0875851] - [15.1841776, 0.0164656666, -5.33483091e-06, 7.98149768e-10, -4.51160381e-14, -3.33923434e+04, -74.3746988] note: 9/1/12 - name: IC4H8OOH-IO2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1367.0, 5000.0] data: - [4.23354857, 0.0563088857, -3.15672522e-05, 7.79536931e-09, -6.21665008e-13, -2.22782534e+04, 15.2623111] - [22.4664901, 0.0209351287, -7.44324128e-06, 1.18589255e-09, -7.00546897e-14, -2.94495457e+04, -85.4241451] note: 9/1/12 - name: IC4H8OOH-TO2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [3.3641353, 0.0693742776, -5.70416393e-05, 2.46040165e-08, -4.3284868e-12, -2.51137558e+04, 16.5767339] - [23.2464612, 0.0188384513, -6.40938087e-06, 9.92649459e-10, -5.75275879e-14, -3.16533132e+04, -88.830171] note: 9/1/12 - name: TC4H8OOH-IO2 composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [3.3641353, 0.0693742776, -5.70416393e-05, 2.46040165e-08, -4.3284868e-12, -2.51137558e+04, 16.5767339] - [23.2464612, 0.0188384513, -6.40938087e-06, 9.92649459e-10, -5.75275879e-14, -3.16533132e+04, -88.830171] note: 9/1/12 - name: IC4KETII composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [1.15501614, 0.0610622345, -4.49711323e-05, 1.70514654e-08, -2.65948602e-12, -3.82747956e+04, 26.9612235] - [19.5143059, 0.0182377395, -6.38908606e-06, 1.00801571e-09, -5.9144035e-14, -4.46884836e+04, -71.7167584] note: 7/19/0THERM - name: IC4KETIT composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.14243741, 0.0633840797, -4.73084738e-05, 1.77145373e-08, -2.67265475e-12, -4.09366796e+04, 23.4844867] - [20.936985, 0.0171090955, -6.01892169e-06, 9.52353863e-10, -5.59926176e-14, -4.77819819e+04, -82.7717611] note: 7/19/0THERM - name: TIC4H7Q2-I composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [4.48426361, 0.0661225007, -5.27349018e-05, 2.18215585e-08, -3.66788946e-12, -1.98906586e+04, 12.6719614] - [23.3848631, 0.0187070035, -6.44021945e-06, 1.00428123e-09, -5.84468189e-14, -2.61180902e+04, -87.6610135] note: 5/6/96THERM - name: IIC4H7Q2-I composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [4.93055661, 0.0605819201, -4.23665566e-05, 1.49122008e-08, -2.10978665e-12, -1.68415495e+04, 13.6228018] - [23.0500244, 0.0192149194, -6.66622576e-06, 1.04495725e-09, -6.1037052e-14, -2.32086881e+04, -83.9949885] note: 7/15/96THERM - name: IIC4H7Q2-T composition: {H: 9, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1377.0, 5000.0] data: - [8.16274487, 0.043446305, -1.76972456e-05, 4.88790666e-10, 9.03915465e-13, -1.96501749e+04, 0.262067299] - [21.5070321, 0.0205359839, -7.12383399e-06, 1.11655053e-09, -6.52112103e-14, -2.51117508e+04, -74.3379783] note: 7/15/96THERM - name: IC4H7OOH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [0.131851762, 0.0619561224, -4.99343877e-05, 2.09628211e-08, -3.59717924e-12, -1.21399925e+04, 29.3905962] - [18.2897194, 0.0167815784, -5.80668193e-06, 9.0894918e-10, -5.30513302e-14, -1.82046522e+04, -67.2111342] note: 4/15/15 - name: IC4H9O2H composition: {H: 10, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [-0.547969191, 0.0657428787, -4.70123149e-05, 1.65991096e-08, -2.27331437e-12, -2.82180462e+04, 31.2961385] - [19.1651624, 0.0193678648, -6.41984435e-06, 9.76947752e-10, -5.59299558e-14, -3.48790978e+04, -74.2063787] note: 9/1/12 - name: TC4H9O2H composition: {H: 10, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [0.44557354, 0.0666153523, -5.20932123e-05, 2.22301799e-08, -4.00189859e-12, -3.12260714e+04, 23.7278262] - [19.0926853, 0.0212697804, -7.46252626e-06, 1.17841127e-09, -6.91795087e-14, -3.77278405e+04, -76.1321196] note: 9/1/12 - name: IC4H8 composition: {H: 8, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.0572478139, 0.0417768938, -2.49095729e-05, 7.54294402e-09, -9.23202212e-13, -3721.66259, 23.5698905] - [11.1444028, 0.0181609265, -6.17791116e-06, 9.55481871e-10, -5.52826092e-14, -7840.24684, -36.8508829] note: 8/12/15 - name: IC4H7 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [-0.229578762, 0.0417842986, -2.668857e-05, 8.42205744e-09, -1.03175361e-12, 1.4394668e+04, 25.4797645] - [11.8999143, 0.0151569859, -5.09995449e-06, 7.83722199e-10, -4.51660275e-14, 1.00363555e+04, -40.2286635] note: 8/12/15 - name: IC4H7-I1 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.912464579, 0.0388654394, -2.57575714e-05, 9.07760026e-09, -1.33946902e-12, 2.55635553e+04, 20.8634918] - [11.1158752, 0.0155127192, -5.23769366e-06, 8.05998394e-10, -4.6470339e-14, 2.19488297e+04, -34.144048] note: 5/13/15 - name: IC4H7O2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [1.43532045, 0.048902657, -3.6360097e-05, 1.4190642e-08, -2.24557878e-12, 3092.84623, 24.1320196] - [14.5791608, 0.0162136068, -5.26957103e-06, 7.90454323e-10, -4.47755051e-14, -1208.48042, -45.6459433] note: L2/00 - name: IC4H6OOH-I composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [6.06669321, 0.0394950065, -2.52721718e-05, 7.84485641e-09, -8.98876886e-13, 2874.48422, -0.378377026] - [17.3601429, 0.0142046196, -4.65348263e-06, 7.02209785e-10, -3.99552775e-14, -1075.09366, -61.2822377] note: L2/00 - name: CCYCCOOC-T1 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-5.29767923, 0.0665082201, -4.67054235e-05, 1.51029775e-08, -1.74322091e-12, 3979.35712, 51.6412476] - [16.8269657, 0.0164471921, -5.63767184e-06, 8.78001611e-10, -5.10959632e-14, -3657.10841, -67.4096786] note: THERM - name: C2CYCOOC-I1 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-2.04718031, 0.0726608379, -6.82960279e-05, 3.27505762e-08, -6.23802161e-12, -371.475599, 19.2056057] - [18.9745085, 0.0150113808, -5.30728309e-06, 8.4245474e-10, -4.96392976e-14, -6931.11358, -90.8581019] note: 7/14 - name: IC4H7O composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.74700687, 0.0407783436, -2.44750243e-05, 7.06502958e-09, -7.51570589e-13, 4869.79233, 19.4535999] - [13.3457615, 0.0161218588, -5.44376403e-06, 8.38199374e-10, -4.8360828e-14, 611.443644, -43.6818838] note: 4/3/0THERM - name: CVCYCCOC composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-2.45566808, 0.0488377067, -3.46186324e-05, 1.26590643e-08, -1.88737988e-12, -643.46088, 35.8434061] - [11.4363523, 0.0163250968, -5.57146218e-06, 8.63795613e-10, -5.00701899e-14, -5446.5345, -38.7179379] note: L2/00 - name: CCYC2OCO composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [-2.97381263, 0.067561516, -5.79901709e-05, 2.55213006e-08, -4.49991674e-12, -9936.07156, 42.5127997] - [16.4352871, 0.016584321, -5.71790511e-06, 8.92586562e-10, -5.19865043e-14, -1.60938498e+04, -59.6946106] note: L2/00 - name: CCYCCOOC-I2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-4.55772603, 0.0710221387, -6.0522843e-05, 2.61773944e-08, -4.51390528e-12, 1.32922215e+04, 46.0828737] - [16.3388791, 0.0165879474, -5.61829108e-06, 8.67331033e-10, -5.01476782e-14, 6669.46988, -64.032204] note: L2/00 - name: CHOIC3H6O composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [0.255559437, 0.0522086026, -3.72283766e-05, 1.3671442e-08, -2.05638885e-12, -1.97284649e+04, 29.9210251] - [15.551197, 0.0167360034, -5.73573457e-06, 8.92095191e-10, -5.18351848e-14, -2.50674335e+04, -52.3215658] note: L2/00 - name: IC3H5OOCH2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [-1.26548168, -3.61337863e-03, 7.31803998e-05, -5.49845697e-08, 1.20447492e-11, 1.33108969e+04, 53.3428723] - [5.05335676, 0.0362904388, -1.54012992e-05, 2.74341619e-09, -1.74718602e-13, 4083.26144, -2.55389509] note: L2/00 - name: CCYCCO-T1 composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-1.39311392, 0.0381789194, -2.62316288e-05, 8.74877238e-09, -1.11296763e-12, 1.12534953e+04, 34.1877003] - [10.3394781, 0.0115180335, -3.87496644e-06, 5.95744364e-10, -3.43539552e-14, 7176.5897, -28.9687593] note: L2/00 - name: IC4H8OH-IT composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [3.05275715, 0.0393926461, -1.90686417e-05, 3.86408022e-09, -1.48005244e-13, -1.42263749e+04, 16.0840537] - [12.9136746, 0.0206583409, -6.98445966e-06, 1.07562552e-09, -6.20443876e-14, -1.81394866e+04, -38.4972088] - name: IC4H8OH-TI composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.33169342, 0.051301704, -4.02698872e-05, 1.75150405e-08, -3.16001727e-12, -1.48318978e+04, 15.536813] - [14.6323607, 0.0188895981, -6.3056145e-06, 9.6247423e-10, -5.51640163e-14, -1.87976018e+04, -49.3218793] - name: IC4H7OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [2.0412424, 0.0414387207, -2.55228632e-05, 8.28133017e-09, -1.10654457e-12, -2.22709637e+04, 18.8699473] - [12.3304221, 0.0183885172, -6.06721733e-06, 9.19054723e-10, -5.24036171e-14, -2.59452023e+04, -36.7418286] - name: IC4H8OH composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1376.0, 5000.0] data: - [3.29612707, 0.0347649647, -1.02505618e-05, -2.04641931e-09, 1.18879408e-12, -1.45627247e+04, 15.860632] - [12.5605997, 0.0210637488, -7.15019648e-06, 1.10439262e-09, -6.38428695e-14, -1.86203249e+04, -36.788943] note: 2/14/95THERM - name: IC4H6OH composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [-1.46664187, 0.0603351671, -5.43112644e-05, 2.49299933e-08, -4.52282491e-12, -6950.12413, 32.0768458] - [15.3490714, 0.0138856699, -4.56427754e-06, 6.9041869e-10, -3.93540403e-14, -1.20164758e+04, -55.597553] - name: TQJC4H8OH composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1415.0, 5000.0] data: - [-0.643419503, 0.0849131517, -8.17210578e-05, 3.90979927e-08, -7.27092842e-12, -3.42375932e+04, 28.4394025] - [22.9681617, 0.0165162786, -5.50247318e-06, 8.39335285e-10, -4.81030625e-14, -4.1005146e+04, -93.4897892] - name: TQC4H8OI composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [0.0745747835, 0.0746499596, -6.42255048e-05, 2.80908988e-08, -4.87692045e-12, -2.47182737e+04, 29.4511549] - [21.3200701, 0.0180489663, -6.06124072e-06, 9.29740751e-10, -5.34977374e-14, -3.12966663e+04, -82.0046659] - name: QC4H7OHP composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-1.27864186, 0.0894492926, -8.78565423e-05, 4.22110919e-08, -7.83450876e-12, -2.58975226e+04, 35.3963909] - [24.3481084, 0.0150316366, -5.01788017e-06, 7.66774357e-10, -4.4009322e-14, -3.3192232e+04, -96.8211106] - name: TQC4H7OHI composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [2.55843807, 0.0637086077, -4.97169945e-05, 1.99225109e-08, -3.21373436e-12, -2.77526909e+04, 19.5001368] - [20.8281225, 0.0181675094, -6.12943202e-06, 9.43194119e-10, -5.43937008e-14, -3.37386684e+04, -77.482372] note: L2/00 - name: CCY(CCO)COH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1412.0, 5000.0] data: - [-7.10048774, 0.0953371808, -9.78701612e-05, 4.90005646e-08, -9.41685766e-12, -3.98987202e+04, 56.0924667] - [19.1884885, 0.0156255714, -5.225698e-06, 7.99171074e-10, -4.58832445e-14, -4.71120302e+04, -78.4579023] - name: C2CY(COC)OH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.592324183, 0.0552429007, -4.02419018e-05, 1.57152217e-08, -2.57388393e-12, -3.58241476e+04, 22.3378086] - [15.682997, 0.0192910506, -6.63718495e-06, 1.03441014e-09, -6.01715267e-14, -4.10598236e+04, -58.5686221] - name: IQJC4H8OH composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [1.81448831, 0.074745275, -7.10895172e-05, 3.44973679e-08, -6.54646593e-12, -3.44023586e+04, 17.7380434] - [21.1752212, 0.0175144254, -5.73227292e-06, 8.63386596e-10, -4.90282414e-14, -3.98881576e+04, -81.9187015] note: L2/00 - name: IC3H6OHCHO composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.84080874, 0.0529601347, -3.94261774e-05, 1.5906343e-08, -2.69565279e-12, -5.01437169e+04, 17.5482756] - [16.0254376, 0.0185402212, -6.36973877e-06, 9.91732739e-10, -5.7647264e-14, -5.50198923e+04, -58.3074874] - name: IQC4H8OT composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [3.72211529, 0.0642864861, -5.52809053e-05, 2.5003663e-08, -4.53471908e-12, -2.43110525e+04, 12.1981167] - [20.4823628, 0.0182966721, -6.04413378e-06, 9.16380548e-10, -5.22866551e-14, -2.94287153e+04, -75.3563247] - name: IQC4H7OHT composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.58900054, 0.0725591129, -7.14080484e-05, 3.55250907e-08, -6.84991795e-12, -2.5724125e+04, 12.3766657] - [21.9945886, 0.0162011186, -5.23758492e-06, 7.81898296e-10, -4.41125515e-14, -3.07383725e+04, -81.6613568] - name: CCY(CCOC)OH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [-2.84914896, 0.0623736856, -4.70326536e-05, 1.84908286e-08, -2.94976027e-12, -3.74257004e+04, 38.3163588] - [14.3404718, 0.0198311504, -6.6065766e-06, 1.0077957e-09, -5.77614335e-14, -4.30959414e+04, -53.0535015] note: L2/00 - name: CH2COHCH2OOH composition: {H: 6, C: 3, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-0.389823383, 0.0701531131, -7.42036788e-05, 3.84181056e-08, -7.63555985e-12, -3.07879938e+04, 28.6873505] - [18.7971268, 0.0112783442, -3.90789058e-06, 6.12064651e-10, -3.57305453e-14, -3.61154867e+04, -69.49143] - name: TC3H6OH composition: {H: 7, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.0967036, 0.0380727565, -2.75022497e-05, 1.07477493e-08, -1.74895773e-12, -1.40764487e+04, 22.2475799] - [11.2222277, 0.0136444398, -4.51406709e-06, 7.10523275e-10, -4.22690392e-14, -1.75350136e+04, -31.8911926] note: 8/9/4THERM - name: TQC4H7OHIO2 composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [3.17336206, 0.07940059, -6.51165712e-05, 2.62035931e-08, -4.1340629e-12, -4.84943162e+04, 17.7867184] - [28.2564819, 0.0166969871, -5.67314614e-06, 8.78350442e-10, -5.09090253e-14, -5.66017464e+04, -115.147927] - name: TQC4H7OHTO2 composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [3.17336206, 0.07940059, -6.51165712e-05, 2.62035931e-08, -4.1340629e-12, -4.84943162e+04, 17.7867184] - [28.2564819, 0.0166969871, -5.67314614e-06, 8.78350442e-10, -5.09090253e-14, -5.66017464e+04, -115.147927] - name: TQC4H7OHIQ-I composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [6.09881562, 0.0693745451, -5.12049498e-05, 1.81276221e-08, -2.46329781e-12, -3.91393707e+04, 2.93862639] - [28.8466964, 0.0166289773, -5.74301906e-06, 8.98791324e-10, -5.24794891e-14, -4.69249234e+04, -119.117836] - name: TQC4H7OHIQ-P composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.36947511, 0.0796855226, -6.74365765e-05, 2.82233283e-08, -4.6527082e-12, -4.05567534e+04, 19.2726029] - [28.1439191, 0.0163524649, -5.54998081e-06, 8.58603978e-10, -4.97359401e-14, -4.84502814e+04, -111.572783] - name: IC3H5COHQ composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1504.0, 5000.0] data: - [2.64360992, 0.0572485066, -3.95907807e-05, 1.27775635e-08, -1.47241476e-12, -3.80099993e+04, 17.7322273] - [20.7387831, 0.0158360934, -5.27614462e-06, 8.05932218e-10, -4.62682425e-14, -4.41821241e+04, -79.4239893] - name: CH2CQCOHQ composition: {H: 6, C: 3, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-16.1171759, 0.17886644, -2.16751308e-04, 1.15450289e-07, -2.27163078e-11, -5.21165145e+04, 114.441286] - [38.6574091, 4.83815026e-04, -2.10413843e-07, 3.81490832e-11, -2.46187754e-15, -6.56392184e+04, -161.083579] note: 7/1/14 - name: IC3H5Q composition: {H: 6, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.32903007, 0.0449170722, -3.51235127e-05, 1.41982181e-08, -2.33335008e-12, -1.21898396e+04, 20.2696565] - [14.3424294, 0.0128053632, -4.40584813e-06, 6.86848148e-10, -3.99675209e-14, -1.65261025e+04, -48.9934539] - name: COHQCYC(COC) composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1319.0, 5000.0] data: - [2.40687943, 0.0595180442, -3.16913659e-05, 4.23694824e-09, 8.42033474e-13, -5.19694864e+04, 18.8941416] - [24.4599226, 0.0164187782, -5.74024372e-06, 9.05710407e-10, -5.31829152e-14, -6.01811228e+04, -102.049722] - name: QCYC(CCOC)OH composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-2.09099972, 0.0802656739, -6.69756245e-05, 2.79282034e-08, -4.60981823e-12, -5.12529252e+04, 41.189726] - [22.0860197, 0.0183743733, -6.29478769e-06, 9.78787994e-10, -5.68621317e-14, -5.89652037e+04, -86.4964494] - name: HOCOCQ(CH3)2 composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [1.56326363, 0.0677165643, -5.14600149e-05, 1.99184629e-08, -3.16007445e-12, -7.30943302e+04, 23.7255421] - [22.8935401, 0.0178627606, -6.3462752e-06, 1.01068546e-09, -5.96885712e-14, -8.0540068e+04, -90.8953779] - name: IQC4H7OHTO2 composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [3.83287364, 0.0690926177, -5.15031144e-05, 1.99235553e-08, -3.17456897e-12, -4.34442789e+04, 19.4648622] - [24.1720261, 0.0209397176, -7.29061406e-06, 1.14554056e-09, -6.70217517e-14, -5.04772118e+04, -89.5996685] - name: IQC4H8OTQ-I composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [5.902198, 0.0626952142, -4.17351838e-05, 1.35422162e-08, -1.71169663e-12, -3.3962002e+04, 7.89290087] - [25.3249383, 0.020063482, -7.01249558e-06, 1.1047503e-09, -6.47561724e-14, -4.09610593e+04, -97.3592779] - name: IQC4H7OHTQ-P composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [3.45242802, 0.0714541224, -5.5461679e-05, 2.22754676e-08, -3.6606745e-12, -3.54133076e+04, 22.3024492] - [24.5769593, 0.0201889393, -7.03584537e-06, 1.10623327e-09, -6.47523225e-14, -4.25783112e+04, -90.5052742] - name: CHOC(CH3)OHCH2Q composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [2.4093353, 0.0613326038, -4.03874986e-05, 1.22738404e-08, -1.3299748e-12, -5.83049516e+04, 22.9870742] - [22.4480753, 0.0178753902, -6.26904597e-06, 9.90084046e-10, -5.81417382e-14, -6.55093075e+04, -85.6747327] - name: CO(CH2OOH)2 composition: {H: 6, C: 3, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-2.47626577, 0.0893736793, -9.25891121e-05, 4.6316849e-08, -8.93300309e-12, -4.38924057e+04, 48.4479477] - [24.3376341, 0.011407411, -4.08931881e-06, 6.55183244e-10, -3.88570518e-14, -5.16862647e+04, -90.1518175] - name: CH3COCHO composition: {H: 4, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [2.08731049, 0.0309032484, -1.98794164e-05, 6.26174519e-09, -7.69945504e-13, -3.43989451e+04, 18.2839639] - [11.437119, 0.0106773624, -3.68967757e-06, 5.77006752e-10, -3.36532201e-14, -3.78079398e+04, -32.5054087] - name: IC3H5OCH2 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [298.15, 1000.0, 2000.0] data: - [-2.14798958, 0.0700225553, -8.2159544e-05, 5.22589946e-08, -1.34176532e-11, 3264.74773, 35.5145589] - [6.64731727, 0.0308190709, -1.7320932e-05, 5.01099629e-09, -6.00089387e-13, 1706.79921, -5.91214819] note: 6/2/14CZHOU - name: IC4H7OOCH3 composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.26784161, 0.0682442475, -5.30807931e-05, 2.27496198e-08, -4.11475065e-12, -1.16767937e+04, 24.4900544] - [19.5896715, 0.0231057369, -8.0291133e-06, 1.25969946e-09, -7.3616936e-14, -1.80069088e+04, -73.4192482] - name: IC4H7OOIC4H7 composition: {H: 14, C: 8, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-0.20788171, 0.104075647, -8.33973077e-05, 3.60897624e-08, -6.4790652e-12, -7790.62693, 35.0446555] - [28.0447245, 0.032750522, -1.13220177e-05, 1.77027767e-09, -1.03211988e-13, -1.72683337e+04, -115.134796] - name: C4H8-1 composition: {H: 8, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.162599556, 0.0401052746, -2.18038592e-05, 5.47070727e-09, -4.54073315e-13, -1654.02601, 24.8169258] - [11.0189295, 0.0182714177, -6.21801907e-06, 9.62038611e-10, -5.56791341e-14, -5809.98818, -34.7942287] - name: C4H8-2 composition: {H: 8, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [1.3079551, 0.0353136624, -1.51866126e-05, 1.64112363e-09, 3.4425762e-13, -3197.67852, 18.1594717] - [10.8652083, 0.0184123129, -6.26886673e-06, 9.70205962e-10, -5.61638967e-14, -7096.25867, -35.1547481] note: 8/12/15 - name: C4H71-1 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.897231085, 0.0377003788, -2.33194855e-05, 7.38468124e-09, -9.500279e-13, 2.76498158e+04, 21.9835413] - [11.053175, 0.0155668782, -5.25853044e-06, 8.09627095e-10, -4.67015477e-14, 2.39455759e+04, -33.1548457] - name: C4H71-2 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [1.56405993, 0.0332162309, -1.5917831e-05, 2.92637814e-09, -3.02645386e-14, 2.5796612e+04, 19.3052496] - [10.7105686, 0.0163539126, -5.63688038e-06, 8.79591989e-10, -5.12098725e-14, 2.21011255e+04, -31.5300308] - name: C4H71-3 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1367.0, 5000.0] data: - [0.940350126, 0.0356830321, -1.74384567e-05, 2.78964567e-09, 1.78068599e-13, 1.49303203e+04, 21.1349333] - [11.6977564, 0.0153404517, -5.16928607e-06, 7.95431212e-10, -4.5891415e-14, 1.07395001e+04, -38.2992966] note: 1/13/16 - name: C4H71-4 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [0.536903096, 0.0366356251, -2.0781461e-05, 5.74895154e-09, -6.05742821e-13, 2.30645349e+04, 25.3369983] - [10.3875084, 0.0163677264, -5.58416036e-06, 8.65388736e-10, -5.01415385e-14, 1.93282846e+04, -28.6081068] - name: C4H72-2 composition: {H: 7, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [2.46499885, 0.0294957335, -1.08904521e-05, 9.17747264e-11, 5.46417906e-13, 2.42904093e+04, 14.4728237] - [10.5359634, 0.0165535631, -5.71669066e-06, 8.93155269e-10, -5.20432637e-14, 2.08161211e+04, -31.1046229] note: 8/12/15 - name: C4H71-O composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-1.60619192, 0.0558562682, -4.35595767e-05, 1.70589279e-08, -2.6563518e-12, 4850.90326, 34.7112559] - [15.313778, 0.0143427017, -4.81625517e-06, 7.39574839e-10, -4.26140814e-14, -729.342884, -55.2937859] note: 4/3/0THERM - name: PC4H8OH-2 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.89476538, 0.0487803114, -3.2670298e-05, 1.17119949e-08, -1.77100238e-12, -1.07455371e+04, 20.6226225] - [14.719862, 0.0193691825, -6.59356634e-06, 1.02018538e-09, -5.90410746e-14, -1.53023402e+04, -48.5296396] - name: SC4H8OH-1 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.78282749, 0.0518872497, -3.89600849e-05, 1.57818686e-08, -2.64133852e-12, -1.28305019e+04, 20.0308244] - [15.0517242, 0.0184748629, -6.15327969e-06, 9.38017339e-10, -5.37214281e-14, -1.71974443e+04, -50.3733848] - name: SC4H8OH-3 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [1.93185505, 0.0479506224, -3.23719194e-05, 1.16232751e-08, -1.72498918e-12, -1.3943137e+04, 20.3995003] - [14.245378, 0.0189491, -6.27403528e-06, 9.52692609e-10, -5.44157896e-14, -1.81803642e+04, -45.6206494] - name: C4H71-3OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.0716707858, 0.0504772909, -3.50356983e-05, 1.30539199e-08, -2.07783174e-12, -2.16983717e+04, 28.2072724] - [14.2401634, 0.0183038695, -6.37213444e-06, 1.0009974e-09, -5.85511411e-14, -2.6818396e+04, -48.3949774] - name: C4H71-4OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.212276307, 0.0486358034, -3.17241965e-05, 1.04986646e-08, -1.39007078e-12, -2.00365173e+04, 30.4092052] - [13.3437331, 0.0182063693, -6.15150719e-06, 9.47318576e-10, -5.46543216e-14, -2.48479001e+04, -42.7998774] - name: C4H71-1OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [-0.465981165, 0.0556573217, -4.50578305e-05, 1.93726056e-08, -3.38967639e-12, -2.31007894e+04, 27.9744544] - [14.2586569, 0.0171932504, -5.74956414e-06, 8.79089774e-10, -5.04586493e-14, -2.78051048e+04, -49.6581579] - name: C4H71-2OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [-1.28560619, 0.063575802, -5.85328191e-05, 2.80452715e-08, -5.32187122e-12, -2.515386e+04, 29.3802791] - [15.0658194, 0.016527603, -5.52197706e-06, 8.43591643e-10, -4.83870716e-14, -2.99737946e+04, -55.3405024] - name: C4H72-1OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1367.0, 5000.0] data: - [2.94637661, 0.0345852975, -1.10024787e-05, -1.33281467e-09, 9.54964043e-13, -2.12241816e+04, 15.5037145] - [13.2893235, 0.0193843938, -6.80733358e-06, 1.07559847e-09, -6.31698641e-14, -2.58627911e+04, -43.4782359] - name: C4H72-2OH composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [-0.184033728, 0.0590104774, -5.22507028e-05, 2.44135801e-08, -4.56518659e-12, -2.6671796e+04, 23.6075268] - [14.9411596, 0.0166289929, -5.55627511e-06, 8.48898851e-10, -4.8694939e-14, -3.12496851e+04, -55.173087] - name: SQC4H8OP composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [3.92966105, 0.0567740736, -3.88077818e-05, 1.31554059e-08, -1.72822772e-12, -2.14649445e+04, 13.2313419] - [20.2482113, 0.0190403096, -6.41818812e-06, 9.86791658e-10, -5.68666168e-14, -2.70686177e+04, -74.3734665] - name: PQC4H8OS composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.68979886, 0.0610664073, -4.46910607e-05, 1.68939056e-08, -2.59692346e-12, -2.12460925e+04, 19.4271757] - [19.9993833, 0.0196391125, -6.70755815e-06, 1.04036085e-09, -6.0318796e-14, -2.71257575e+04, -73.1284601] - name: PQC4H7OHS-3 composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [3.1405882, 0.0594343278, -4.55414505e-05, 1.85507067e-08, -3.10109441e-12, -2.40765022e+04, 19.9412365] - [18.9703648, 0.0196512375, -6.6152283e-06, 1.01590849e-09, -5.84889733e-14, -2.92876345e+04, -64.0682635] - name: NC4KET12OH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [0.52026985, 0.0540316915, -3.57074151e-05, 1.18022134e-08, -1.57485744e-12, -4.67781081e+04, 28.9999061] - [16.8650782, 0.0183319076, -6.41389893e-06, 1.01105283e-09, -5.92858731e-14, -5.27353126e+04, -59.7188408] - name: SQC4H7OHS-4 composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [3.37952725, 0.0650949152, -5.59109752e-05, 2.49644089e-08, -4.44896795e-12, -2.51501593e+04, 15.8596901] - [20.6664415, 0.0178772156, -5.93193686e-06, 9.02005813e-10, -5.1569199e-14, -3.04132233e+04, -74.4595459] - name: SQC4H8OS composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [3.45579406, 0.0610420456, -4.64106547e-05, 1.80687264e-08, -2.81124474e-12, -2.34835698e+04, 13.999189] - [20.5363895, 0.0185261859, -6.1825777e-06, 9.44045247e-10, -5.413904e-14, -2.90453556e+04, -76.6224497] - name: NC4KET23OH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.64761234, 0.0474122084, -2.72508571e-05, 7.25755846e-09, -6.68682869e-13, -5.04946247e+04, 23.7800424] - [15.4636087, 0.0192120108, -6.64681122e-06, 1.03988604e-09, -6.06552757e-14, -5.57292725e+04, -51.9147488] note: 7/27/15 - name: SC4H8OH-3O2 composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [1.78918281, 0.0662988026, -5.52280656e-05, 2.40247962e-08, -4.18762027e-12, -3.30428157e+04, 22.8885942] - [19.3082953, 0.0192156764, -6.34250732e-06, 9.60912935e-10, -5.47939937e-14, -3.84370805e+04, -68.8887622] - name: CCY(COCC)OH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1328.0, 5000.0] data: - [-6.13260697, 0.0775376285, -6.73066149e-05, 2.82841623e-08, -4.65470382e-12, -3.57825027e+04, 55.3089299] - [10.3816782, 0.025305269, -1.00511826e-05, 1.6820474e-09, -9.58092966e-14, -3.94348914e+04, -27.3522595] - name: C4H7O2-1 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1684.0, 5000.0] data: - [5.16434924, 0.0253427725, -1.39669041e-06, -6.00713944e-09, 1.76696879e-12, 5032.10693, 4.37441148] - [11.268569, 0.020172482, -7.41925667e-06, 1.21275519e-09, -7.30115348e-14, 2138.76442, -31.5208064] note: 9/8/14 - name: C4H6-1 composition: {H: 6, C: 4} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.42819263, 0.0249821955, 6.27370548e-06, -2.61747866e-08, 1.26585079e-11, 1.80248564e+04, 13.6683982] - [7.81179394, 0.0179733772, -6.61044149e-06, 1.05501491e-09, -6.19297169e-14, 1.61770171e+04, -15.9658015] note: L10/93 - name: AC3H5OCH2 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.20089076, 0.0424760987, -2.94114641e-05, 1.1182486e-08, -1.8130953e-12, 7267.92055, 24.3628654] - [11.9880368, 0.0170263516, -5.78617265e-06, 8.94150465e-10, -5.16994613e-14, 3483.67473, -33.586063] note: 9/8/14 - name: SC3H5OCH2-1 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [0.235694446, 0.0467367652, -3.04880689e-05, 9.75216148e-09, -1.23281228e-12, 7116.68364, 28.1378517] - [14.7022035, 0.0155342107, -5.45701052e-06, 8.62544885e-10, -5.06734446e-14, 1812.948, -50.5120353] - name: C8H141-5,3-4 composition: {H: 14, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-2.52713194, 0.0928837673, -6.67176819e-05, 2.53683579e-08, -4.01212661e-12, -45.596594, 42.3180878] - [23.069068, 0.0323154042, -1.10795683e-05, 1.72276354e-09, -1.00052582e-13, -8912.40214, -94.9655754] - name: C8H141-5,3 composition: {H: 14, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-1.02072126, 0.0847808555, -5.47568199e-05, 1.8179207e-08, -2.47335881e-12, -453.248586, 36.4247438] - [22.5173982, 0.0326748629, -1.11807923e-05, 1.73629966e-09, -1.00752481e-13, -8960.6279, -91.0857551] note: 8/25/15 - name: C8H142-6 composition: {H: 14, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [0.343524821, 0.077235912, -4.3486146e-05, 1.12949093e-08, -9.77995416e-13, -837.798357, 29.8241439] - [22.0960852, 0.0327887472, -1.11700037e-05, 1.72970378e-09, -1.00179059e-13, -9049.51881, -89.2942652] note: 8/25/15 - name: C8H131-5,3-4,TA composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-3.23996819, 0.091349493, -6.60037456e-05, 2.51706078e-08, -3.99030974e-12, 1.64345368e+04, 44.949886] - [22.2822575, 0.0310651867, -1.06940907e-05, 1.66739777e-09, -9.7024345e-14, 7576.80613, -91.9858764] - name: C8H131-5,3,TA composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.503201172, 0.0778854227, -4.63156182e-05, 1.32834166e-08, -1.4262305e-12, 1.58388712e+04, 32.6514434] - [21.6161787, 0.0314326704, -1.07786324e-05, 1.67632587e-09, -9.73755313e-14, 7608.97211, -88.0384104] - name: C8H131-5,3,SA composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-1.32185914, 0.0830473789, -5.42213233e-05, 1.80737386e-08, -2.45105483e-12, 1.65183103e+04, 36.7169651] - [22.1141889, 0.0309871348, -1.06198459e-05, 1.65100088e-09, -9.58788408e-14, 8085.0978, -90.1448021] - name: C8H131-5,3,PA composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-1.57063382, 0.0860080913, -5.83884368e-05, 2.02048105e-08, -2.83115953e-12, 1.77015232e+04, 39.5476224] - [23.2085707, 0.0297529224, -1.01333635e-05, 1.56925634e-09, -9.09001242e-14, 8953.38901, -94.0777602] - name: C8H132-6,SA composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [0.220017932, 0.0748621425, -4.21239973e-05, 1.07414215e-08, -8.66560315e-13, 1.61027987e+04, 29.9517204] - [21.6167233, 0.0312260643, -1.06640216e-05, 1.65409816e-09, -9.59112187e-14, 8033.84556, -87.219443] - name: C8H132-6,PA composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [0.105119796, 0.077015035, -4.48890925e-05, 1.19516688e-08, -1.04377517e-12, 1.72713386e+04, 32.2058738] - [22.9293875, 0.0297187394, -1.00712335e-05, 1.55505094e-09, -8.99129602e-14, 8779.75921, -92.4517461] - name: C6H101-3,3 composition: {H: 10, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-0.0301310455, 0.0643105079, -4.75083462e-05, 1.89877768e-08, -3.17681035e-12, 2823.67411, 24.9254708] - [16.9678361, 0.0228868236, -7.78758381e-06, 1.20465198e-09, -6.97080856e-14, -2972.76905, -65.8632941] - name: C8H131-5,3-4,TAO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [1.00679908, 0.0890191278, -6.27963646e-05, 2.24161585e-08, -3.2058706e-12, 4564.22741, 27.654664] - [27.057905, 0.0284726632, -9.66434779e-06, 1.49337149e-09, -8.63788413e-14, -4431.11126, -112.228392] - name: C8H131-5,3,TAO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.46771925, 0.0767800622, -5.63189881e-05, 2.22689786e-08, -3.64813515e-12, 1174.75936, 14.5619856] - [21.663886, 0.0277253448, -9.69375951e-06, 1.6758212e-09, -1.08059396e-13, -5703.00683, -93.3237797] - name: C8H131-5,3,SAO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.60953926, 0.0839738786, -5.49469234e-05, 1.84255257e-08, -2.56040058e-12, 5337.13436, 26.2653941] - [26.1023602, 0.0305036647, -1.06268215e-05, 1.67026867e-09, -9.77389024e-14, -3647.44193, -106.781316] - name: C8H131-5,3,PAO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1374.0, 5000.0] data: - [3.91532442, 0.0710319966, -3.55623644e-05, 6.98595095e-09, -1.8346584e-13, 7229.11524, 16.7145758] - [25.1902631, 0.0315630048, -1.105683e-05, 1.74424175e-09, -1.02327221e-13, -1344.01684, -101.448477] - name: C8H132-6,SAO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [3.34168622, 0.0749917518, -4.18382842e-05, 1.06108028e-08, -8.96488454e-13, 5244.58399, 18.6128166] - [25.4267504, 0.0310421548, -1.08045689e-05, 1.69716523e-09, -9.92701997e-14, -3286.41768, -102.872762] - name: C8H132-6,PAO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 2014.0, 5000.0] data: - [6.30807632, 0.0580374259, -1.75637726e-05, -2.7088776e-09, 1.61702129e-12, 7078.39485, 6.2934456] - [19.9391776, 0.0379081645, -1.37893231e-05, 2.23770591e-09, -1.34044177e-13, 1429.81257, -70.7923233] - name: C7H111-5,3,6P composition: {H: 11, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.676848821, 0.0738082653, -5.3594522e-05, 2.06293915e-08, -3.2970111e-12, 3.28160434e+04, 34.0518079] - [19.5787047, 0.0254213538, -8.68127275e-06, 1.34629701e-09, -7.80464853e-14, 2.58537943e+04, -74.411233] - name: C7H111-5,1P composition: {H: 11, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.816831855, 0.0656745024, -4.14490949e-05, 1.32234876e-08, -1.69289568e-12, 3.27646149e+04, 27.5442934] - [19.1915682, 0.0255013021, -8.65881522e-06, 1.33796943e-09, -7.73784878e-14, 2.60946287e+04, -72.1387547] - name: C4H64,2-1OH composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1366.0, 5000.0] data: - [2.50804582, 0.0353393033, -1.41418095e-05, 5.6550181e-10, 5.94838384e-13, -3085.74102, 18.1061546] - [13.6259446, 0.0170233137, -6.00460246e-06, 9.51603754e-10, -5.60055773e-14, -7814.9889, -44.4948073] - name: C4H63,1-1OH composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [-0.596640682, 0.0531885124, -4.34791765e-05, 1.86514084e-08, -3.23780972e-12, -6155.43596, 27.4734171] - [13.8675222, 0.015479581, -5.17720236e-06, 7.91828077e-10, -4.54656891e-14, -1.07655481e+04, -48.7820652] - name: C4H63,1-3OH composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [0.596155469, 0.0435893351, -2.65985265e-05, 8.14250262e-09, -1.02316366e-12, -5056.30797, 24.3923636] - [13.3633351, 0.0170222596, -5.9524519e-06, 9.37896168e-10, -5.49767305e-14, -9901.13178, -45.4753472] - name: C4H63,1-2OH composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [-1.589036, 0.0617722944, -5.78263835e-05, 2.78090017e-08, -5.26779799e-12, -8179.77186, 29.6999338] - [14.6899596, 0.0148008021, -4.9448377e-06, 7.55542892e-10, -4.33461574e-14, -1.2944824e+04, -54.5653093] - name: C4H5OH-13 composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [-1.60022758, 0.0612386329, -6.18933585e-05, 3.14927455e-08, -6.20396658e-12, -9774.35172, 30.8328186] - [14.0975061, 0.0129826578, -4.36356696e-06, 6.69260196e-10, -3.84920001e-14, -1.41099189e+04, -49.4340793] note: 9/24/15 - name: SQC4H7OHP-4 composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [1.44518283, 0.0652944119, -5.1038013e-05, 2.0523891e-08, -3.32050656e-12, -2.2905989e+04, 27.8546218] - [19.9207495, 0.0189422879, -6.39488327e-06, 9.84231371e-10, -5.67606301e-14, -2.89250584e+04, -70.1061222] - name: CY(CCCO)COH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-6.97589766, 0.0798392838, -7.11131714e-05, 3.16611877e-08, -5.61324136e-12, -3.35777839e+04, 61.209334] - [13.4636332, 0.0228745777, -9.93619553e-06, 1.89605197e-09, -1.26466856e-13, -3.96396606e+04, -45.1064489] - name: NC4KET21OH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1507.0, 5000.0] data: - [5.46677192, 0.0301119974, -2.5954885e-06, -7.61700554e-09, 2.55573161e-12, -4.89909104e+04, 6.33307684] - [15.2252911, 0.0186615017, -6.30658772e-06, 9.72355897e-10, -5.61770184e-14, -5.34759661e+04, -50.0397269] - name: C2H5CHOHCO composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-2.44749259, 0.0646308488, -5.10457937e-05, 1.99850773e-08, -3.1221449e-12, -2.66670442e+04, 39.5566556] - [18.2917246, 0.014800741, -5.24974573e-06, 8.35220286e-10, -4.92942253e-14, -3.36703722e+04, -71.2363783] - name: CH3COCOHCH3 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-1.65607674, 0.0608409982, -4.8521544e-05, 1.97794382e-08, -3.26305133e-12, -3.05158227e+04, 35.8911868] - [16.5624631, 0.0159037217, -5.54554278e-06, 8.72274939e-10, -5.10735025e-14, -3.65884887e+04, -61.083392] - name: C2H4COCH2OH composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1462.0, 5000.0] data: - [7.98874348, 0.0141152447, 1.86299924e-05, -1.99223089e-08, 5.12983835e-12, -2.98706372e+04, -1.8719203] - [14.0828195, 0.0176833414, -6.09759192e-06, 9.52794521e-10, -5.55571628e-14, -3.37518398e+04, -40.8944306] - name: CH3COHCO composition: {H: 4, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [0.825855205, 0.0522217422, -5.66992291e-05, 2.94815948e-08, -5.81714952e-12, -3.50157127e+04, 17.8488731] - [15.0110709, 7.26697312e-03, -2.42872486e-06, 3.71246886e-10, -2.13068531e-14, -3.87354954e+04, -54.100554] note: 9/24/15 - name: CH2COHCHO composition: {H: 4, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [0.0576639663, 0.0516589617, -5.49773816e-05, 2.83487148e-08, -5.57464421e-12, -3.39594513e+04, 22.9757289] - [14.0200417, 7.95092924e-03, -2.63244516e-06, 3.99896432e-10, -2.2853812e-14, -3.76808145e+04, -48.045799] note: 9/24/15 - name: SQC4H7OHP-4O2 composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.62618431, 0.0726812595, -5.64956508e-05, 2.25892409e-08, -3.65246549e-12, -4.08999596e+04, 26.5615323] - [23.5936348, 0.0208588461, -7.13602285e-06, 1.10820581e-09, -6.43133049e-14, -4.78452356e+04, -84.9505816] - name: PQC4H7OHS-3O2 composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [2.90986916, 0.0776596028, -6.68513896e-05, 2.93627835e-08, -5.12008013e-12, -4.31551961e+04, 22.9130715] - [24.6607662, 0.019294777, -6.45433722e-06, 9.87246207e-10, -5.6688963e-14, -4.98467067e+04, -91.0424907] - name: SQC4H7OHS-4O2 composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [2.90986916, 0.0776596028, -6.68513896e-05, 2.93627835e-08, -5.12008013e-12, -4.31551961e+04, 22.9130715] - [24.6607662, 0.019294777, -6.45433722e-06, 9.87246207e-10, -5.6688963e-14, -4.98467067e+04, -91.0424907] - name: C4H7O2-1,3OOH composition: {H: 9, C: 4, O: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [4.88339443, 0.0718219147, -5.86792171e-05, 2.42823866e-08, -3.98538527e-12, -3.36575518e+04, 12.4696185] - [25.4691227, 0.0186441036, -6.23825706e-06, 9.54422873e-10, -5.48154425e-14, -4.01531561e+04, -96.038971] - name: NC4KET13OH-2 composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [2.13332105, 0.0669840817, -5.19672275e-05, 2.03864253e-08, -3.22074763e-12, -5.90962942e+04, 24.096487] - [22.5434165, 0.017637703, -6.14926113e-06, 9.67201484e-10, -5.66321794e-14, -6.59724022e+04, -84.8522697] - name: NC4KET24OH-1 composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1672.0, 5000.0] data: - [7.17383002, 0.0372830917, -7.30000099e-06, -5.42423663e-09, 1.94298976e-12, -5.91469605e+04, 3.98040888] - [17.6639507, 0.0238921914, -8.87612081e-06, 1.46065294e-09, -8.83476797e-14, -6.36561283e+04, -56.0405234] - name: NC4KET24OH-3 composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [2.60979522, 0.0611530456, -4.50409252e-05, 1.73313054e-08, -2.75573967e-12, -6.07708447e+04, 24.489203] - [20.2237496, 0.0194540798, -6.73928381e-06, 1.05529414e-09, -6.15931037e-14, -6.68651215e+04, -69.9676945] - name: C4H6OHOOH1-4-3 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-1.90016482, 0.0772727339, -6.79667571e-05, 2.98158102e-08, -5.16343458e-12, -3.01649655e+04, 40.6810164] - [21.5163584, 0.0155811846, -5.27569793e-06, 8.1481062e-10, -4.71424652e-14, -3.74825726e+04, -82.410115] - name: C4H6OHOOH2-2-1 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.0472576793, 0.0785787048, -7.6800641e-05, 3.7920612e-08, -7.33203833e-12, -3.51140091e+04, 28.0064858] - [21.665646, 0.0159965487, -5.52214578e-06, 8.62740322e-10, -5.02768063e-14, -4.14875437e+04, -83.937754] - name: C4H6OHOOH1-3-4 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [0.944277749, 0.0634330602, -4.99455695e-05, 2.05720571e-08, -3.48143957e-12, -3.17827282e+04, 29.2923796] - [19.3445152, 0.0182185729, -6.3449163e-06, 9.97097673e-10, -5.83420009e-14, -3.79952136e+04, -68.8144861] - name: C4H6OHOOH1-2-3 composition: {H: 8, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [-2.88475927, 0.0916099207, -9.37152074e-05, 4.66406895e-08, -8.92736049e-12, -3.52899912e+04, 39.2851633] - [23.2793098, 0.0138280934, -4.61330737e-06, 7.05319574e-10, -4.05174739e-14, -4.26348237e+04, -95.1979841] - name: HOCH2CHO composition: {H: 4, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1680.0, 5000.0] data: - [4.35084369, 0.0150412895, -5.9508303e-07, -3.75736217e-09, 1.09353598e-12, -3.91654526e+04, 8.09610238] - [7.99598542, 0.0120664034, -4.43693399e-06, 7.25167046e-10, -4.3653546e-14, -4.09020567e+04, -13.3754312] note: 9/24/15 - name: C4H71-4OOH composition: {H: 8, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.31653247, 0.0516546159, -3.47310922e-05, 1.20405755e-08, -1.71650639e-12, -1.17754576e+04, 24.6384545] - [15.9871304, 0.0186028119, -6.40003189e-06, 9.97531711e-10, -5.80334203e-14, -1.70152141e+04, -54.6227137] - name: C4H71-4O2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.09042625, 0.045713008, -2.9481583e-05, 9.69604853e-09, -1.30061388e-12, 4889.32667, 21.5456077] - [15.0240251, 0.0172860962, -5.94297061e-06, 9.2586143e-10, -5.38461748e-14, 192.460667, -48.5941022] note: 9/25/15 - name: C4H61-3OOH4 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [1.00320366, 0.0499893791, -3.43100656e-05, 1.20104294e-08, -1.71132691e-12, 5177.44264, 24.9842453] - [15.5818475, 0.0169176098, -5.840091e-06, 9.12401042e-10, -5.3169933e-14, 12.0753065, -53.6683745] - name: C4H6O1-3OOH4 composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [3.83045773, 0.0507388403, -3.42226447e-05, 1.13486298e-08, -1.48529245e-12, -5617.86232, 15.1509867] - [19.5456291, 0.016035854, -5.6176895e-06, 8.86341914e-10, -5.20072732e-14, -1.12679434e+04, -69.9490153] - name: C4H6O2-1OOH4 composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1364.0, 5000.0] data: - [5.38344712, 0.0447089832, -2.43630482e-05, 5.07835349e-09, -1.20805939e-13, -3407.11224, 8.84731441] - [20.51648, 0.0155727845, -5.54197222e-06, 8.83592649e-10, -5.22241946e-14, -9300.30707, -74.6630628] - name: HOCH2COCH2 composition: {H: 5, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1363.0, 5000.0] data: - [4.9863497, 0.0251766916, -1.10893306e-05, 1.12011467e-09, 2.89491135e-13, -2.40047973e+04, 6.38258616] - [12.7106963, 0.011551396, -3.95951917e-06, 6.16237371e-10, -3.58328248e-14, -2.71538154e+04, -36.7129478] - name: HOCH2CO composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1487.0, 5000.0] data: - [5.12916864, 9.07172819e-03, 6.49228146e-06, -8.56591893e-09, 2.31070825e-12, -2.06151607e+04, 5.73007596] - [9.43496508, 7.6889734e-03, -2.7495928e-06, 4.39772312e-10, -2.60488233e-14, -2.29700136e+04, -20.4618579] note: 9/25/15 - name: HOCHCHO composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1680.0, 5000.0] data: - [0.542856274, 0.0295295948, -2.0831549e-05, 6.72777461e-09, -8.06116446e-13, -1.89378452e+04, 23.1681075] - [9.99251726, 7.77560619e-03, -2.94238616e-06, 4.90136333e-10, -2.98979778e-14, -2.20440827e+04, -27.3957153] note: 9/25/15 - name: PC3H4OH-3 composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [0.406368169, 0.0370231405, -2.72202689e-05, 1.05783475e-08, -1.73632514e-12, 527.160824, 23.4781848] - [11.5297558, 0.0114381097, -4.04415495e-06, 6.41949269e-10, -3.78242456e-14, -3454.86444, -36.5385497] note: 9/25/15 - name: PC3H4OH-1 composition: {H: 5, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.07150195, 0.035001681, -3.01922013e-05, 1.38467853e-08, -2.55380109e-12, 6819.14209, 15.1916605] - [10.9468986, 0.010401454, -3.44082448e-06, 5.22105632e-10, -2.98049266e-14, 4115.306, -31.1161699] note: 9/25/15 - name: CH3COCHOH composition: {H: 5, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [2.11183979, 0.0332521318, -1.96834015e-05, 5.4073676e-09, -5.32450556e-13, -2.58545486e+04, 17.7643465] - [12.3884831, 0.0123099892, -4.322638e-06, 6.83043939e-10, -4.01192794e-14, -2.97609476e+04, -38.5682589] note: 9/25/15 - name: SC2H2OH composition: {H: 3, C: 2, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [1.63791895, 0.0264968839, -2.74821415e-05, 1.43110557e-08, -2.85794966e-12, 1.11467016e+04, 15.8714777] - [7.99235139, 5.83109353e-03, -1.89242965e-06, 2.83129118e-10, -1.59933287e-14, 9512.37374, -16.2058375] note: 9/25/15 - name: PC4H8OH-1 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.772566991, 0.0500429367, -3.20163534e-05, 1.02913291e-08, -1.30709217e-12, -1.384218e+04, 25.89283] - [14.7813217, 0.0189692972, -6.38671427e-06, 9.81341181e-10, -5.65332084e-14, -1.88487062e+04, -49.8892364] - name: PC4H8OH-3 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [2.21685429, 0.0471340178, -3.04254756e-05, 1.03165429e-08, -1.45043599e-12, -1.08208508e+04, 18.3497891] - [14.5944628, 0.0192223378, -6.48868808e-06, 9.98309067e-10, -5.75488987e-14, -1.52392636e+04, -48.5127747] - name: C4H7O1-4 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [2.4489543, 0.0369423519, -1.77510852e-05, 2.6453753e-09, 2.43666218e-13, 6163.85921, 17.3174889] - [13.3251126, 0.0165057558, -5.6523589e-06, 8.78319847e-10, -5.0991458e-14, 1912.81414, -42.8181479] note: 9/8/14 - name: PC4H8OH-4 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [-0.0695634735, 0.0520263179, -3.44849029e-05, 1.17704221e-08, -1.63047436e-12, -1.06053581e+04, 31.5909567] - [14.1519859, 0.01964397, -6.64537615e-06, 1.0240272e-09, -5.91001981e-14, -1.56141213e+04, -45.0604102] - name: SC4H8OH-2 composition: {H: 9, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.96361387, 0.0477673982, -3.11652479e-05, 1.07498897e-08, -1.54834306e-12, -1.6500033e+04, 19.7286755] - [14.5514712, 0.0192722299, -6.50955109e-06, 1.00200009e-09, -5.77830714e-14, -2.09909632e+04, -48.2454428] - name: CH2COHCO composition: {H: 3, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [1.2434137, 0.0471484739, -5.44200189e-05, 2.95970356e-08, -6.01447282e-12, -1.65555219e+04, 16.8301276] - [13.1285142, 6.17948608e-03, -1.93387986e-06, 2.81892606e-10, -1.56244314e-14, -1.93507932e+04, -42.2958094] note: 9/25/15 - name: C4H72-2O2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.4953708, 0.0475680882, -3.26452548e-05, 1.14069694e-08, -1.61494862e-12, 176.383849, 16.7027189] - [16.3301022, 0.0160698895, -5.50238293e-06, 8.55098973e-10, -4.96517196e-14, -4700.39715, -57.87364] note: 9/29/15 - name: C4H71-1O2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.02223104, 0.0485577506, -3.30293697e-05, 1.13406677e-08, -1.57078109e-12, 4041.43594, 20.6106646] - [16.3738534, 0.0162685376, -5.62192103e-06, 8.7898252e-10, -5.12510706e-14, -1063.18473, -56.9005716] note: 9/29/15 - name: C4H71-2O2 composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [1.42459973, 0.0520547601, -3.89440869e-05, 1.51726193e-08, -2.42611664e-12, 1688.54104, 22.3230947] - [16.3565639, 0.0161768136, -5.56610316e-06, 8.67700997e-10, -5.04886444e-14, -3402.45466, -57.5260769] note: 9/29/15 - name: C3H6OH1-1 composition: {H: 7, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.13614529, 0.0368850655, -2.24073579e-05, 6.62398992e-09, -7.32206246e-13, -1.09273174e+04, 22.4919343] - [11.4795375, 0.0145881429, -4.8835938e-06, 7.47606975e-10, -4.2960836e-14, -1.46832088e+04, -33.6825807] note: 10/2/15 - name: PC4H8OH-2O2 composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [1.977809, 0.0625692373, -4.7673021e-05, 1.90561997e-08, -3.10596799e-12, -3.09625439e+04, 23.5880251] - [19.0513685, 0.0200624257, -6.76970282e-06, 1.04136985e-09, -6.00271674e-14, -3.65966815e+04, -67.1202048] - name: SC4H8OH-1O2 composition: {H: 9, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.47037864, 0.0638295256, -4.92333916e-05, 1.99704964e-08, -3.30499356e-12, -3.08602292e+04, 26.3462505] - [18.854709, 0.0202217653, -6.82328766e-06, 1.04961552e-09, -6.05032676e-14, -3.65721162e+04, -65.9105449] - name: C4H71-3OOCH3 composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.542404662, 0.0751511469, -6.00684679e-05, 2.49701271e-08, -4.22319878e-12, -1.13061371e+04, 30.2981962] - [21.2299326, 0.0207003584, -6.99464238e-06, 1.07836941e-09, -6.22999849e-14, -1.85005682e+04, -85.3499854] - name: C4H72-1OOCH3 composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [2.44675386, 0.0621430218, -4.39326296e-05, 1.72567499e-08, -2.94950711e-12, -1.11431755e+04, 19.4028997] - [19.2914755, 0.0234475159, -8.1671369e-06, 1.28338262e-09, -7.50837828e-14, -1.72688938e+04, -71.6509708] - name: C4H6 composition: {H: 6, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.01356056, 0.0335722771, -1.96279376e-05, 5.7480385e-09, -6.75029065e-13, 1.33956759e+04, 19.9957382] - [10.1064561, 0.0146248415, -5.01373934e-06, 7.79510645e-10, -4.52675769e-14, 9961.33753, -29.7310638] - name: C4H612 composition: {H: 6, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1374.0, 5000.0] data: - [0.945515689, 0.0346162239, -1.98590697e-05, 5.02139421e-09, -3.67977164e-13, 1.81439079e+04, 20.2191143] - [11.4059885, 0.0131489843, -4.43542071e-06, 6.83028825e-10, -3.94289265e-14, 1.42427294e+04, -36.9674067] note: A8/83 - name: C4H6-2 composition: {H: 6, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1377.0, 5000.0] data: - [1.97152408, 0.0276790997, -1.13396645e-05, 1.02970745e-09, 2.75290944e-13, 1.57283766e+04, 14.2147356] - [9.60305554, 0.0148972169, -5.1675123e-06, 8.0975717e-10, -4.72817668e-14, 1.24831314e+04, -28.7129792] note: A8/83 - name: C4H5-I composition: {H: 5, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [-0.0199329, 0.038005672, -2.755945e-05, 7.7835551e-09, 4.0209383e-13, 3.7496223e+04, 24.394241] - [10.229092, 9.4850138e-03, -9.0406445e-08, -1.25961e-09, 2.4781468e-13, 3.4642812e+04, -28.564529] note: H6W/94 - name: C4H5-N composition: {H: 5, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [0.16305321, 0.039830137, -3.4000128e-05, 1.5147233e-08, -2.4665825e-12, 4.1429766e+04, 23.536163] - [9.8501978, 0.010779008, -1.3672125e-06, -7.7200535e-10, 1.8366314e-13, 3.8840301e+04, -26.001846] note: H6W/94 - name: C4H5-2 composition: {H: 5, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [2.31011292, 0.0283747046, -1.63836755e-05, 4.46251967e-09, -4.30510879e-13, 3.55842945e+04, 14.9105965] - [10.3230828, 0.0117625574, -4.00004665e-06, 6.18727929e-10, -3.5808353e-14, 3.25861413e+04, -28.8794317] note: H6W/94 - name: C4H4 composition: {H: 4, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [-1.9152479, 0.052750878, -7.1655944e-05, 5.5072423e-08, -1.7286228e-11, 3.2978504e+04, 31.419983] - [6.6507092, 0.016129434, -7.1938875e-06, 1.4981787e-09, -1.186411e-13, 3.1195992e+04, -9.7952118] note: H6W/94 - name: C4H3-I composition: {H: 3, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [2.0830412, 0.040834274, -6.2159685e-05, 5.1679358e-08, -1.7029184e-11, 5.8005129e+04, 13.617462] - [9.0978165, 9.2207119e-03, -3.3878441e-06, 4.9160498e-10, -1.452978e-14, 5.6600574e+04, -19.802597] note: AB1/93 - name: C4H3-N composition: {H: 3, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [-0.31684113, 0.0469121, -6.809381e-05, 5.3179921e-08, -1.6523005e-11, 6.2476199e+04, 24.622559] - [5.4328279, 0.016860981, -9.4313109e-06, 2.5703895e-09, -2.7456309e-13, 6.160068e+04, -1.5673981] note: H6W/94 - name: C4H2 composition: {H: 2, C: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [1.0543978, 0.04162696, -6.5871784e-05, 5.3257075e-08, -1.6683162e-11, 5.4185211e+04, 14.866591] - [9.1576328, 5.5430518e-03, -1.3591604e-06, 1.8780075e-11, 2.3189536e-14, 5.2588039e+04, -23.71146] note: D11/99 - name: C4H6O25 composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 5000.0] data: - [2.67053463, 4.9258642e-03, 8.86967406e-05, -1.26219194e-07, 5.23991321e-11, -1.46572472e+04, 14.5722395] - [8.60658242, 0.0208310051, -8.42229481e-06, 1.5671764e-09, -1.09391202e-13, -1.76177415e+04, -23.246475] note: T3/97 - name: C2H3CHOCH2 composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1431.0, 5000.0] data: - [-3.59388437, 0.057906345, -4.97163294e-05, 2.15818682e-08, -3.69199072e-12, 858.852628, 42.8475443] - [12.676279, 0.0140819509, -4.63473868e-06, 7.01090838e-10, -3.99438277e-14, -4080.65264, -42.2515995] - name: C4H4O composition: {H: 4, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.847469463, 0.0131773796, 5.99735901e-05, -9.71562904e-08, 4.22733796e-11, -5367.85445, 21.4945172] - [9.38935003, 0.0140291241, -5.0775511e-06, 8.24137332e-10, -4.95319963e-14, -8682.41814, -27.916292] note: T03/97 - name: C4H6O23 composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 5000.0] data: - [2.67053463, 4.9258642e-03, 8.86967406e-05, -1.26219194e-07, 5.23991321e-11, -1.02787872e+04, 14.5722395] - [8.60658242, 0.0208310051, -8.42229481e-06, 1.5671764e-09, -1.09391202e-13, -1.32392815e+04, -23.246475] note: T3/97 - name: CH2CHCHCHO composition: {H: 5, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.45155348, 0.0437530418, -3.37273602e-05, 1.31111496e-08, -2.04732021e-12, 2149.43141, 24.0835867] - [13.9299886, 0.0113228814, -3.87393567e-06, 6.0237862e-10, -3.50120301e-14, -2395.89898, -47.9026849] - name: H2C4O composition: {H: 2, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 4000.0] data: - [4.810971, 0.01313999, 9.865073e-07, -6.12072e-09, 1.640003e-12, 2.545803e+04, 2.113424] - [10.26888, 4.896164e-03, -4.885081e-07, -2.708566e-10, 5.107013e-14, 2.346903e+04, -28.15985] note: '120189' - name: NC3H7CHO composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1679.0, 5000.0] data: - [1.24208539, 0.0421277518, -2.13832135e-05, 4.22614614e-09, -1.03710908e-13, -2.71049353e+04, 22.1567167] - [11.9789345, 0.0204894148, -7.24831619e-06, 1.15561709e-09, -6.84119824e-14, -3.0927213e+04, -36.3929716] note: 8/12/15 - name: NC3H7CO composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1496.0, 5000.0] data: - [2.63537828, 0.0340368642, -1.24118988e-05, -1.17886666e-09, 1.16488136e-12, -8659.19992, 16.8407569] - [13.4870098, 0.0158626861, -5.41698905e-06, 8.40508889e-10, -4.8757009e-14, -1.30725285e+04, -43.8634081] - name: C3H6CHO-1 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1538.0, 5000.0] data: - [2.21483383, 0.035411329, -1.44082892e-05, 5.27605922e-11, 8.9500323e-13, -2464.82792, 20.0076022] - [13.3449137, 0.0159347421, -5.43143577e-06, 8.41706117e-10, -4.87847084e-14, -6912.81947, -41.9662475] - name: C3H6CHO-2 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1439.0, 5000.0] data: - [4.01372834, 0.0233173718, 5.72463585e-06, -1.27182841e-08, 3.69912722e-12, -4167.66399, 13.0545921] - [12.7128605, 0.0168632757, -5.83779932e-06, 9.14059755e-10, -5.33575736e-14, -8501.65835, -38.4620358] - name: C3H6CHO-3 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1678.0, 5000.0] data: - [0.529001237, 0.0430707499, -2.49474118e-05, 6.40934608e-09, -5.27769846e-13, -6876.67117, 24.885642] - [12.1729663, 0.018005655, -6.43783092e-06, 1.03362049e-09, -6.14850407e-14, -1.08642352e+04, -38.032225] - name: SC3H5CHO composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.09372823, 0.0443315368, -3.41918451e-05, 1.39369607e-08, -2.3379146e-12, -1.56745978e+04, 19.4458467] - [13.3892118, 0.013911542, -4.75820958e-06, 7.38736618e-10, -4.28606559e-14, -1.97917448e+04, -46.0146004] - name: SC3H5CO composition: {H: 5, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.776401404, 0.0426828436, -3.37881191e-05, 1.39128174e-08, -2.33331638e-12, 1299.03132, 19.8102013] - [12.9925654, 0.0122140721, -4.19305277e-06, 6.52697685e-10, -3.79407376e-14, -2747.8238, -45.109247] - name: C2H5COCH3 composition: {H: 8, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1454.0, 5000.0] data: - [2.57048052, 0.0351446793, -1.23849584e-05, -1.21280927e-09, 1.16163555e-12, -3.10194049e+04, 16.1395232] - [12.8183044, 0.0179874386, -5.94194784e-06, 9.01636365e-10, -5.14993729e-14, -3.51711964e+04, -41.1609193] note: 8/12/15 - name: C2H5COCH2 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.96643032, 0.0410271409, -2.56193885e-05, 7.86244495e-09, -9.26825962e-13, -8801.49212, 18.4803948] - [13.597948, 0.0157187785, -5.3520082e-06, 8.28428039e-10, -4.79645862e-14, -1.30111973e+04, -44.6215708] - name: CH2CH2COCH3 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [2.36191763, 0.0350400641, -1.70487065e-05, 3.0907021e-09, 2.80364847e-14, -6027.54073, 19.5184512] - [11.7915603, 0.0170296457, -5.75444256e-06, 8.86035114e-10, -5.11070778e-14, -9706.83178, -32.5532787] - name: CH3CHCOCH3 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1438.0, 5000.0] data: - [3.31082456, 0.0283712402, -5.64603859e-06, -4.62626296e-09, 1.82954207e-12, -1.14602301e+04, 16.2217415] - [11.9651378, 0.0163142163, -5.3987952e-06, 8.20454677e-10, -4.69197541e-14, -1.51990676e+04, -33.0142593] - name: C2H3COCH3 composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.6559107, 0.0419405303, -3.00269693e-05, 1.16578089e-08, -1.92100897e-12, -1.72216627e+04, 23.8412293] - [11.9989844, 0.0152616304, -5.26018882e-06, 8.20774274e-10, -4.77834528e-14, -2.1217062e+04, -37.1383523] - name: CH3CHOOCOCH3 composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [4.30171569, 0.0462273591, -3.12564494e-05, 1.08627824e-08, -1.51478379e-12, -2.63732146e+04, 11.9724375] - [16.8056216, 0.0170791389, -5.6943945e-06, 8.68878944e-10, -4.98008338e-14, -3.06718613e+04, -55.117896] - name: CH2CHOOHCOCH3 composition: {H: 7, C: 4, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [4.45962223, 0.0467200276, -3.15878907e-05, 1.06245787e-08, -1.38857032e-12, -1.84720686e+04, 12.9655977] - [17.8031394, 0.0160286227, -5.38152372e-06, 8.2524231e-10, -4.74718968e-14, -2.30767899e+04, -58.7370258] - name: C2H5CHCO composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1550.0, 5000.0] data: - [-22.8307043, 0.170978191, -3.53394379e-04, 2.78221616e-07, -6.77325074e-11, -1.04125457e+04, 131.232921] - [-204.040652, 0.29346688, -1.15884523e-04, 1.95253673e-08, -1.19030791e-12, 8.27380036e+04, 1212.33386] - name: NC5H12 composition: {H: 12, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-0.299551806, 0.0594963054, -3.41764359e-05, 9.47896058e-09, -9.73675086e-13, -1.98959978e+04, 27.5742132] - [15.8289132, 0.0259344752, -8.83016276e-06, 1.36654986e-09, -7.91029283e-14, -2.59397429e+04, -60.5558457] note: 9/8/14 - name: C5H11-1 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [0.0983190194, 0.0558653605, -3.28855625e-05, 9.58366873e-09, -1.0864137e-12, 4820.65818, 28.6921367] - [15.1918481, 0.0240339049, -8.19717624e-06, 1.27002751e-09, -7.35727956e-14, -802.148517, -53.6479311] note: 9/8/14 - name: C5H11-2 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [0.817689455, 0.0492653514, -2.13785619e-05, 1.85532454e-09, 7.06259101e-13, 3262.21492, 26.5876082] - [14.717705, 0.0241667557, -8.18647646e-06, 1.26271867e-09, -7.29267957e-14, -2260.27771, -50.6071115] note: 9/8/14 - name: C5H11-3 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [0.817689455, 0.0492653514, -2.13785619e-05, 1.85532454e-09, 7.06259101e-13, 3262.21492, 25.8981266] - [14.717705, 0.0241667557, -8.18647646e-06, 1.26271867e-09, -7.29267957e-14, -2260.27771, -51.2965931] note: 9/8/14 - name: C5H11O2H-1 composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.7569667, 0.0713994143, -4.75006334e-05, 1.62337006e-08, -2.2683439e-12, -3.00009521e+04, 28.5558826] - [20.8826791, 0.026158738, -8.96860003e-06, 1.39463023e-09, -8.1003326e-14, -3.71864314e+04, -80.1917306] note: 9/8/14 - name: C5H11O2H-2 composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [1.06841342, 0.0736472213, -5.31234084e-05, 2.02380955e-08, -3.18671855e-12, -3.21746715e+04, 25.1901593] - [21.1347974, 0.0256494323, -8.7265024e-06, 1.34983451e-09, -7.81086942e-14, -3.904163e+04, -82.1964012] note: 9/8/14 - name: C5H11O2H-3 composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [1.06841342, 0.0736472213, -5.31234084e-05, 2.02380955e-08, -3.18671855e-12, -3.21746715e+04, 23.8111961] - [21.1347974, 0.0256494323, -8.7265024e-06, 1.34983451e-09, -7.81086942e-14, -3.904163e+04, -83.5753644] note: 9/8/14 - name: C5H11O2-1 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.47849612, 0.0656222617, -4.24002295e-05, 1.39455731e-08, -1.86035665e-12, -1.33065245e+04, 25.7184992] - [19.9508904, 0.0248182054, -8.50415197e-06, 1.32191009e-09, -7.67596518e-14, -1.99782879e+04, -74.3587406] note: 9/8/14 - name: C5H11O2-2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.95945265, 0.067301265, -4.74261817e-05, 1.76453313e-08, -2.71599328e-12, -1.55102022e+04, 21.5326067] - [20.1379084, 0.0243048677, -8.24744582e-06, 1.27344965e-09, -7.35953601e-14, -2.17777897e+04, -75.9194124] note: 9/8/14 - name: C5H11O2-3 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.95945265, 0.067301265, -4.74261817e-05, 1.76453313e-08, -2.71599328e-12, -1.55102022e+04, 20.1536434] - [20.1379084, 0.0243048677, -8.24744582e-06, 1.27344965e-09, -7.35953601e-14, -2.17777897e+04, -77.2983757] note: 9/8/14 - name: C5H11O-1 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.61443159, 0.0584449099, -3.26027513e-05, 7.76525028e-09, -4.48739932e-13, -1.20210227e+04, 22.3620687] - [18.7118024, 0.0236054696, -8.05610528e-06, 1.24900841e-09, -7.23989034e-14, -1.84133036e+04, -71.1769229] note: 9/8/14 - name: C5H11O-2 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [1.80797841, 0.0595687062, -3.62936785e-05, 1.0578566e-08, -1.11086649e-12, -1.41294991e+04, 20.108545] - [18.5178187, 0.0233560329, -7.87896503e-06, 1.21190761e-09, -6.98572825e-14, -2.01488741e+04, -70.5224357] note: 9/8/14 - name: C5H11O-3 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [1.80797841, 0.0595687062, -3.62936785e-05, 1.0578566e-08, -1.11086649e-12, -1.41294991e+04, 18.7295817] - [18.5178187, 0.0233560329, -7.87896503e-06, 1.21190761e-09, -6.98572825e-14, -2.01488741e+04, -71.901399] note: 9/8/14 - name: C5H10OOH1-2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.65531081, 0.0613777489, -3.7252689e-05, 1.10683497e-08, -1.26575773e-12, -6875.69412, 21.8610512] - [20.0795991, 0.0243589475, -8.36202795e-06, 1.30140406e-09, -7.5632979e-14, -1.33166011e+04, -73.0604965] note: 9/8/14 - name: C5H10OOH1-3 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.21641946, 0.0596426514, -3.30151174e-05, 7.82801873e-09, -4.53626906e-13, -6890.38067, 25.3165655] - [19.4584083, 0.0246031733, -8.38534822e-06, 1.29883762e-09, -7.52367289e-14, -1.33548974e+04, -69.0616123] note: 9/8/14 - name: C5H10OOH1-4 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.21641946, 0.0596426514, -3.30151174e-05, 7.82801873e-09, -4.53626906e-13, -6890.38067, 25.3165655] - [19.4584083, 0.0246031733, -8.38534822e-06, 1.29883762e-09, -7.52367289e-14, -1.33548974e+04, -69.0616123] note: 9/8/14 - name: C5H10OOH1-5 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.960306204, 0.0685338215, -4.72580697e-05, 1.69913164e-08, -2.53055987e-12, -5252.2721, 29.9005842] - [20.2627427, 0.0243041392, -8.36491479e-06, 1.30408546e-09, -7.58781596e-14, -1.20792388e+04, -74.1332935] note: 9/8/14 - name: C5H10OOH2-1 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.97482622, 0.0685026751, -4.88793184e-05, 1.80505063e-08, -2.71515676e-12, -7589.36343, 23.1709703] - [21.1683533, 0.0230995637, -7.85421525e-06, 1.21454488e-09, -7.02697376e-14, -1.41652579e+04, -79.6524097] note: 9/8/14 - name: C5H10OOH2-3 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [3.03844851, 0.0635523371, -4.29455468e-05, 1.50665567e-08, -2.16139351e-12, -9066.91319, 18.1118164] - [20.359951, 0.023644402, -8.00996599e-06, 1.23543694e-09, -7.13457143e-14, -1.51264004e+04, -75.0912668] note: 9/8/14 - name: C5H10OOH2-4 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [2.69411113, 0.0613272504, -3.77802938e-05, 1.11809673e-08, -1.20043769e-12, -9095.00363, 21.1388648] - [19.884363, 0.0237470675, -7.98273943e-06, 1.22497373e-09, -7.04946509e-14, -1.5241305e+04, -71.9593692] note: 9/8/14 - name: C5H10OOH2-5 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.46239008, 0.0700773603, -5.1893511e-05, 2.03023923e-08, -3.27212476e-12, -7458.96384, 25.6255897] - [20.5595155, 0.023592356, -8.01736916e-06, 1.23918525e-09, -7.1667407e-14, -1.39059417e+04, -76.2751847] note: 9/8/14 - name: C5H10OOH3-1 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.46239008, 0.0700773603, -5.1893511e-05, 2.03023923e-08, -3.27212476e-12, -7458.96384, 24.936108] - [20.5595155, 0.023592356, -8.01736916e-06, 1.23918525e-09, -7.1667407e-14, -1.39059417e+04, -76.9646663] note: 9/8/14 - name: C5H10OOH3-2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [3.03844851, 0.0635523371, -4.29455468e-05, 1.50665567e-08, -2.16139351e-12, -9066.91319, 17.4223348] - [20.359951, 0.023644402, -8.00996599e-06, 1.23543694e-09, -7.13457143e-14, -1.51264004e+04, -75.7807484] note: 9/8/14 - name: C5H10O1-2 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-5.22384549, 0.0795280569, -6.27918049e-05, 2.51187341e-08, -3.99106436e-12, -1.76152192e+04, 51.532812] - [17.645314, 0.0217647043, -7.28831391e-06, 1.11571673e-09, -6.41056178e-14, -2.49627812e+04, -69.4780751] note: 9/8/14 - name: C5H10O1-3 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1445.0, 5000.0] data: - [-7.38770073, 0.0862948016, -7.34565945e-05, 3.18221366e-08, -5.43057938e-12, -1.80648633e+04, 60.9884425] - [16.1536944, 0.022269922, -7.20967982e-06, 1.07781327e-09, -6.08828236e-14, -2.51216994e+04, -61.8744318] note: 9/8/14 - name: C5H10O1-4 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1470.0, 5000.0] data: - [-7.99511075, 0.0848027993, -6.84820969e-05, 2.79646707e-08, -4.48601572e-12, -2.79347448e+04, 63.6835324] - [15.6838302, 0.0228597182, -7.36869093e-06, 1.09855828e-09, -6.19425653e-14, -3.5236512e+04, -60.6986511] note: 9/8/14 - name: C5H10O1-5 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1447.0, 5000.0] data: - [-8.45066821, 0.0836041573, -6.24375031e-05, 2.32498119e-08, -3.38258239e-12, -2.79060038e+04, 61.9634163] - [15.8722584, 0.024148494, -8.02830905e-06, 1.22306406e-09, -7.00384536e-14, -3.58667196e+04, -67.3548909] note: 9/8/14 - name: C5H10O2-3 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1415.0, 5000.0] data: - [-6.83688134, 0.0900167224, -8.09486382e-05, 3.71523167e-08, -6.73312332e-12, -1.94907358e+04, 57.3459463] - [17.6695497, 0.0216741351, -7.23760886e-06, 1.10546424e-09, -6.34044008e-14, -2.6799974e+04, -70.1762004] note: 9/8/14 - name: C5H10O2-4 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-6.9138115, 0.0865695113, -7.51445092e-05, 3.29307332e-08, -5.77631101e-12, -2.02336617e+04, 56.6267224] - [15.8873476, 0.0248573824, -1.03962573e-05, 1.95192708e-09, -1.29464891e-13, -2.72224431e+04, -62.6943208] note: 9/8/14 - name: C5H10OOH1-2O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.92123878, 0.0767601721, -5.1011184e-05, 1.59643052e-08, -1.82979631e-12, -2.55486792e+04, 22.7306226] - [27.1105703, 0.0234082367, -8.11719657e-06, 1.27230537e-09, -7.43221831e-14, -3.4140629e+04, -108.093476] note: 9/14 - name: C5H10OOH1-3O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.92123878, 0.0767601721, -5.1011184e-05, 1.59643052e-08, -1.82979631e-12, -2.55486792e+04, 22.7306226] - [27.1105703, 0.0234082367, -8.11719657e-06, 1.27230537e-09, -7.43221831e-14, -3.4140629e+04, -108.093476] note: 9/14 - name: C5H10OOH1-4O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.92123878, 0.0767601721, -5.1011184e-05, 1.59643052e-08, -1.82979631e-12, -2.55486792e+04, 22.7306226] - [27.1105703, 0.0234082367, -8.11719657e-06, 1.27230537e-09, -7.43221831e-14, -3.4140629e+04, -108.093476] note: 9/14 - name: C5H10OOH1-5O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.61115242, 0.0758124541, -5.03939636e-05, 1.63241251e-08, -2.04839461e-12, -2.33970141e+04, 25.8821117] - [25.821221, 0.0246140917, -8.55565938e-06, 1.34293065e-09, -7.85178268e-14, -3.17158002e+04, -99.7698267] note: 9/14 - name: C5H10OOH2-1O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.92123878, 0.0767601721, -5.1011184e-05, 1.59643052e-08, -1.82979631e-12, -2.55486792e+04, 22.7306226] - [27.1105703, 0.0234082367, -8.11719657e-06, 1.27230537e-09, -7.43221831e-14, -3.4140629e+04, -108.093476] note: 9/14 - name: C5H10OOH2-3O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [2.94958658, 0.0794696642, -6.12300085e-05, 2.45360891e-08, -3.99243941e-12, -2.76263457e+04, 21.006618] - [25.1554088, 0.0242476887, -8.22109032e-06, 1.26886123e-09, -7.33157779e-14, -3.49522107e+04, -96.9775586] note: 9/14 - name: C5H10OOH2-4O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [2.94958658, 0.0794696642, -6.12300085e-05, 2.45360891e-08, -3.99243941e-12, -2.76263457e+04, 21.006618] - [25.1554088, 0.0242476887, -8.22109032e-06, 1.26886123e-09, -7.33157779e-14, -3.49522107e+04, -96.9775586] note: 9/14 - name: C5H10OOH2-5O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.92123878, 0.0767601721, -5.1011184e-05, 1.59643052e-08, -1.82979631e-12, -2.55486792e+04, 22.7306226] - [27.1105703, 0.0234082367, -8.11719657e-06, 1.27230537e-09, -7.43221831e-14, -3.4140629e+04, -108.093476] note: 9/14 - name: C5H10OOH3-1O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.92123878, 0.0767601721, -5.1011184e-05, 1.59643052e-08, -1.82979631e-12, -2.55486792e+04, 22.7306226] - [27.1105703, 0.0234082367, -8.11719657e-06, 1.27230537e-09, -7.43221831e-14, -3.4140629e+04, -108.093476] note: 9/14 - name: C5H10OOH3-2O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [2.94958658, 0.0794696642, -6.12300085e-05, 2.45360891e-08, -3.99243941e-12, -2.76263457e+04, 21.006618] - [25.1554088, 0.0242476887, -8.22109032e-06, 1.26886123e-09, -7.33157779e-14, -3.49522107e+04, -96.9775586] note: 9/14 - name: C5H91-2,3OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [2.9122616, 0.0795651114, -6.13230261e-05, 2.44460527e-08, -3.9503402e-12, -1.96516956e+04, 23.2188202] - [25.5056147, 0.023699032, -8.07032909e-06, 1.2493492e-09, -7.23427367e-14, -2.71353489e+04, -96.9348818] note: 9/14 - name: C5H91-2,4OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [2.9122616, 0.0795651114, -6.13230261e-05, 2.44460527e-08, -3.9503402e-12, -1.96516956e+04, 23.2188202] - [25.5056147, 0.023699032, -8.07032909e-06, 1.2493492e-09, -7.23427367e-14, -2.71353489e+04, -96.9348818] note: 9/14 - name: C5H91-2,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [2.56086129, 0.0780408775, -5.7486333e-05, 2.18761227e-08, -3.3992424e-12, -1.74851061e+04, 26.6588551] - [25.0741397, 0.0244380043, -8.40704928e-06, 1.31038422e-09, -7.62381905e-14, -2.51871158e+04, -93.8667514] note: 9/14 - name: C5H91-3,4OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [2.48775154, 0.0815271831, -6.44013124e-05, 2.63443736e-08, -4.35804025e-12, -1.95635349e+04, 25.0626503] - [25.4680852, 0.023630742, -8.02474436e-06, 1.23994908e-09, -7.17032304e-14, -2.70635665e+04, -96.760558] note: 9/14 - name: C5H91-3,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [2.50132978, 0.079314115, -5.51608762e-05, 1.83963651e-08, -2.32880956e-12, -1.75129588e+04, 26.4329747] - [27.5716451, 0.0226282394, -7.85651555e-06, 1.23251566e-09, -7.2042692e-14, -2.62702922e+04, -108.64834] note: 9/14 - name: C5H91-4,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [2.50132978, 0.079314115, -5.51608762e-05, 1.83963651e-08, -2.32880956e-12, -1.75129588e+04, 26.4329747] - [27.5716451, 0.0226282394, -7.85651555e-06, 1.23251566e-09, -7.2042692e-14, -2.62702922e+04, -108.64834] note: 9/14 - name: C5H92-1,3OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.42922915, 0.0733174178, -5.05533009e-05, 1.77709491e-08, -2.53421378e-12, -1.89212844e+04, 22.6144479] - [24.6778451, 0.0247896676, -8.53168232e-06, 1.33018418e-09, -7.74050315e-14, -2.64008851e+04, -91.8794025] note: 9/14 - name: C5H92-1,4OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.42922915, 0.0733174178, -5.05533009e-05, 1.77709491e-08, -2.53421378e-12, -1.89212844e+04, 22.6144479] - [24.6778451, 0.0247896676, -8.53168232e-06, 1.33018418e-09, -7.74050315e-14, -2.64008851e+04, -91.8794025] note: 9/14 - name: C5H92-1,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [3.43107332, 0.0725133538, -4.5339524e-05, 1.29499313e-08, -1.26534785e-12, -1.69000809e+04, 23.7843821] - [26.3836136, 0.0238373273, -8.31679219e-06, 1.30877666e-09, -7.66591074e-14, -2.52930801e+04, -101.118754] note: 9/14 - name: C5H92-3,4OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [3.76788328, 0.0747668469, -5.41780015e-05, 2.01841133e-08, -3.04867679e-12, -2.10823293e+04, 19.2561961] - [25.1070211, 0.0240686276, -8.2046704e-06, 1.27103065e-09, -7.36339262e-14, -2.83591157e+04, -94.9637963] note: 9/14 - name: C5H92-3,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.42922915, 0.0733174178, -5.05533009e-05, 1.77709491e-08, -2.53421378e-12, -1.89212844e+04, 22.6144479] - [24.6778451, 0.0247896676, -8.53168232e-06, 1.33018418e-09, -7.74050315e-14, -2.64008851e+04, -91.8794025] note: 9/14 - name: C5H92-4,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [4.06621416, 0.0720273834, -4.95956461e-05, 1.70908613e-08, -2.31584179e-12, -1.92523266e+04, 19.931693] - [24.7514622, 0.0241459993, -8.18238994e-06, 1.26250806e-09, -7.29352454e-14, -2.63782993e+04, -91.1444444] note: 9/14 - name: C5H93-1,2OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.42922915, 0.0733174178, -5.05533009e-05, 1.77709491e-08, -2.53421378e-12, -1.89212844e+04, 22.6144479] - [24.6778451, 0.0247896676, -8.53168232e-06, 1.33018418e-09, -7.74050315e-14, -2.64008851e+04, -91.8794025] note: 9/14 - name: C5H93-1,4OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.42922915, 0.0733174178, -5.05533009e-05, 1.77709491e-08, -2.53421378e-12, -1.89212844e+04, 22.6144479] - [24.6778451, 0.0247896676, -8.53168232e-06, 1.33018418e-09, -7.74050315e-14, -2.64008851e+04, -91.8794025] note: 9/14 - name: C5H93-1,5OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [3.67511835, 0.0698557277, -4.39193701e-05, 1.31290152e-08, -1.43358803e-12, -1.70587842e+04, 23.0262907] - [24.4184921, 0.0249501505, -8.57440942e-06, 1.33558596e-09, -7.76697869e-14, -2.45529807e+04, -89.5288488] note: 9/14 - name: C5H93-2,4OOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [3.76788328, 0.0747668469, -5.41780015e-05, 2.01841133e-08, -3.04867679e-12, -2.10823293e+04, 18.5667144] - [25.1070211, 0.0240686276, -8.2046704e-06, 1.27103065e-09, -7.36339262e-14, -2.83591157e+04, -95.6532779] note: 9/14 - name: C5H91-3OOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-1.89589507, 0.0818483531, -6.75161021e-05, 2.83331852e-08, -4.76826956e-12, -1.47140793e+04, 38.5399143] - [22.4660467, 0.0200408413, -6.8455004e-06, 1.0626605e-09, -6.16741604e-14, -2.26148518e+04, -90.4469895] note: 9/8/14 - name: C5H91-4OOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.38243484, 0.0667661361, -4.96344237e-05, 1.94278468e-08, -3.12175781e-12, -1.69086691e+04, 24.0815942] - [19.6307052, 0.0222000091, -7.52489271e-06, 1.16109117e-09, -6.70722374e-14, -2.30400033e+04, -73.2135194] note: 9/8/14 - name: C5H91-5OOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.993373748, 0.0646025217, -4.40191862e-05, 1.5537529e-08, -2.2623637e-12, -1.4715682e+04, 27.8588419] - [19.3103284, 0.022991337, -7.91269843e-06, 1.23358507e-09, -7.17773402e-14, -2.12246688e+04, -70.9825558] note: 9/8/14 - name: C5H92-1OOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [0.577880009, 0.0691528527, -5.00924279e-05, 1.88100079e-08, -2.91765412e-12, -1.44043272e+04, 29.7056559] - [21.0623695, 0.0215772208, -7.44876502e-06, 1.16423903e-09, -6.78819533e-14, -2.15816942e+04, -80.4705541] note: 9/8/14 - name: C5H92-4OOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-1.10664142, 0.0770652343, -6.01781689e-05, 2.37846489e-08, -3.77298555e-12, -1.61217479e+04, 34.5219377] - [22.2714879, 0.0199891269, -6.78760139e-06, 1.05004677e-09, -6.08129638e-14, -2.39098291e+04, -90.0213678] note: 9/8/14 - name: C5H92-5OOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [1.76944896, 0.0600153444, -3.72031347e-05, 1.14551487e-08, -1.3922639e-12, -1.61243818e+04, 23.8818885] - [18.8657282, 0.0233222202, -8.01683595e-06, 1.24882522e-09, -7.26244846e-14, -2.24129903e+04, -69.1316665] note: 9/8/14 - name: C5H9O1-2OOH-3 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1422.0, 5000.0] data: - [-1.63458528, 0.0837428576, -6.46448858e-05, 2.45435115e-08, -3.63637746e-12, -3.02443795e+04, 38.1009801] - [24.0742385, 0.0210049879, -7.12965508e-06, 1.10196053e-09, -6.37577378e-14, -3.86905727e+04, -98.6614868] note: 9/14 - name: C5H9O1-2OOH-4 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1422.0, 5000.0] data: - [-1.63458528, 0.0837428576, -6.46448858e-05, 2.45435115e-08, -3.63637746e-12, -3.02443795e+04, 38.1009801] - [24.0742385, 0.0210049879, -7.12965508e-06, 1.10196053e-09, -6.37577378e-14, -3.86905727e+04, -98.6614868] note: 9/14 - name: C5H9O1-2OOH-5 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-2.91502569, 0.0863720024, -6.80858869e-05, 2.66150873e-08, -4.08265327e-12, -2.79298051e+04, 45.8804153] - [23.1521586, 0.0215716913, -7.27787584e-06, 1.12021946e-09, -6.46248595e-14, -3.63754336e+04, -92.3672941] note: 9/14 - name: C5H9O1-3OOH-2 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [-4.67708778, 0.0925191737, -7.56245586e-05, 3.08655754e-08, -4.969747e-12, -3.05178886e+04, 51.9807893] - [22.9238871, 0.0222244781, -7.50929996e-06, 1.15689292e-09, -6.6779431e-14, -3.93149495e+04, -93.842666] note: 9/14 - name: C5H9O1-3OOH-4 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [-4.67708778, 0.0925191737, -7.56245586e-05, 3.08655754e-08, -4.969747e-12, -3.05178886e+04, 51.9807893] - [22.9238871, 0.0222244781, -7.50929996e-06, 1.15689292e-09, -6.6779431e-14, -3.93149495e+04, -93.842666] note: 9/14 - name: C5H9O1-3OOH-5 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [-5.55071358, 0.0929081113, -7.49705054e-05, 3.02210571e-08, -4.80852681e-12, -2.82561346e+04, 57.9510604] - [22.1702811, 0.0228760461, -7.73630997e-06, 1.19254044e-09, -6.8863041e-14, -3.7150293e+04, -88.7113724] note: 9/14 - name: C5H9O1-4OOH-2 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-9.18084516, 0.108786371, -9.86756121e-05, 4.49207522e-08, -8.03087742e-12, -3.98013189e+04, 72.6760969] - [21.726041, 0.0234146274, -7.86187868e-06, 1.20571561e-09, -6.93653621e-14, -4.90509096e+04, -88.3590566] note: 9/14 - name: C5H9O1-4OOH-3 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-9.18084516, 0.108786371, -9.86756121e-05, 4.49207522e-08, -8.03087742e-12, -3.98013189e+04, 72.6760969] - [21.726041, 0.0234146274, -7.86187868e-06, 1.20571561e-09, -6.93653621e-14, -4.90509096e+04, -88.3590566] note: 9/14 - name: C5H9O1-4OOH-5 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-9.29661331, 0.104958911, -9.00892767e-05, 3.89843596e-08, -6.68819849e-12, -3.76382956e+04, 75.2773731] - [21.3868464, 0.0242467386, -8.26745278e-06, 1.28123479e-09, -7.42527951e-14, -4.72411464e+04, -86.0552096] note: 9/14 - name: C5H9O1-5OOH-2 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [-9.63082131, 0.106539535, -8.95953916e-05, 3.77712411e-08, -6.322489e-12, -3.97499469e+04, 71.8166046] - [22.4618796, 0.0242252273, -8.36381388e-06, 1.30712783e-09, -7.62010208e-14, -5.00102121e+04, -97.6835754] note: 9/14 - name: C5H9O1-5OOH-3 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [-9.63082131, 0.106539535, -8.95953916e-05, 3.77712411e-08, -6.322489e-12, -3.97499469e+04, 71.1220903] - [22.4618796, 0.0242252273, -8.36381388e-06, 1.30712783e-09, -7.62010208e-14, -5.00102121e+04, -98.3780898] note: 9/14 - name: C5H9O2-3OOH-1 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1436.0, 5000.0] data: - [-2.95211763, 0.0890845071, -7.32339295e-05, 2.98425405e-08, -4.76173344e-12, -3.00280666e+04, 44.5334764] - [23.730969, 0.0206751517, -6.88444402e-06, 1.05044759e-09, -6.02362275e-14, -3.84362991e+04, -96.1945548] note: 9/14 - name: C5H9O2-3OOH-4 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-4.57026018, 0.105196229, -1.05063534e-04, 5.15547206e-08, -9.70822253e-12, -3.20442434e+04, 49.0445735] - [23.6691815, 0.0192560232, -6.07856844e-06, 8.92371727e-10, -4.97448691e-14, -3.96296162e+04, -95.1544015] note: 9/14 - name: C5H9O2-3OOH-5 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1436.0, 5000.0] data: - [-2.95211763, 0.0890845071, -7.32339295e-05, 2.98425405e-08, -4.76173344e-12, -3.00280666e+04, 44.5334764] - [23.730969, 0.0206751517, -6.88444402e-06, 1.05044759e-09, -6.02362275e-14, -3.84362991e+04, -96.1945548] note: 9/14 - name: C5H9O2-4OOH-1 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1429.0, 5000.0] data: - [-5.54951868, 0.0955182117, -8.01619637e-05, 3.35588175e-08, -5.52327105e-12, -3.03610773e+04, 56.417536] - [22.6534501, 0.0220609304, -7.36975144e-06, 1.12674313e-09, -6.46941132e-14, -3.91616134e+04, -91.9653554] note: 9/14 - name: C5H9O2-4OOH-3 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1427.0, 5000.0] data: - [-4.69459258, 0.094945703, -7.98763001e-05, 3.34048886e-08, -5.48568419e-12, -3.26159152e+04, 49.8789194] - [23.6121225, 0.0213802117, -7.1643306e-06, 1.09773009e-09, -6.31280098e-14, -4.14634634e+04, -99.1050535] note: 9/14 - name: C5H9O1-2O-5 composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [-0.646243908, 0.0653341554, -4.13295267e-05, 1.15534981e-08, -9.90013428e-13, -1.01037208e+04, 33.5841975] - [20.1220485, 0.0203728898, -6.96642194e-06, 1.08201705e-09, -6.28152071e-14, -1.74886279e+04, -78.9086914] note: 9/8/14 - name: CH2CH2OCH2CH2CHO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1447.0, 5000.0] data: - [-0.618508829, 0.0643128028, -4.60370456e-05, 1.65228932e-08, -2.31382679e-12, -2.02103439e+04, 37.5876155] - [17.5698412, 0.0205459822, -6.77593971e-06, 1.02644892e-09, -5.85405221e-14, -2.62366696e+04, -59.3672925] note: '4' - name: NC5KET12 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [-1.29174799, 0.0864138926, -7.02456071e-05, 2.86657248e-08, -4.68321816e-12, -4.01718501e+04, 40.0248297] - [25.695862, 0.0197581564, -6.83008913e-06, 1.06937987e-09, -6.2452208e-14, -4.9102796e+04, -103.505108] note: 9/8/14 - name: NC5KET13 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [3.00527399, 0.0657859047, -4.36348536e-05, 1.39803001e-08, -1.68002311e-12, -4.24094861e+04, 19.0078452] - [22.5901874, 0.0217812117, -7.38063794e-06, 1.13910638e-09, -6.58295642e-14, -4.92679139e+04, -86.5971472] note: 9/8/14 - name: NC5KET14 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [3.00527399, 0.0657859047, -4.36348536e-05, 1.39803001e-08, -1.68002311e-12, -4.24094861e+04, 19.0078452] - [22.5901874, 0.0217812117, -7.38063794e-06, 1.13910638e-09, -6.58295642e-14, -4.92679139e+04, -86.5971472] note: 9/8/14 - name: NC5KET15 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.63079123, 0.0636042087, -3.80050385e-05, 1.00772174e-08, -8.1525552e-13, -4.0220148e+04, 22.7068767] - [22.2256536, 0.0226347088, -7.79347724e-06, 1.21574025e-09, -7.07808477e-14, -4.74266046e+04, -84.1025053] note: 9/8/14 - name: NC5KET21 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.19752899, 0.0792952922, -6.01376298e-05, 2.2619273e-08, -3.3657258e-12, -4.1875169e+04, 35.9471835] - [24.5822715, 0.0202064434, -6.87782149e-06, 1.06593008e-09, -6.18171916e-14, -5.02288346e+04, -96.4925259] note: 9/8/14 - name: NC5KET23 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-0.459062579, 0.082336407, -6.69200221e-05, 2.76548457e-08, -4.58692734e-12, -4.40257491e+04, 36.1810105] - [24.2608382, 0.0203281864, -6.88576173e-06, 1.06357099e-09, -6.15324796e-14, -5.21063936e+04, -94.9416999] note: 9/8/14 - name: NC5KET24 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [3.70377687, 0.0622140345, -4.08903819e-05, 1.31907442e-08, -1.60742182e-12, -4.62411438e+04, 15.8017148] - [21.3557506, 0.022005928, -7.28286282e-06, 1.1061054e-09, -6.32057101e-14, -5.23446138e+04, -79.1468873] note: 9/8/14 - name: NC5KET25 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [3.30376112, 0.0601763378, -3.55337358e-05, 9.4996034e-09, -7.96339342e-13, -4.40485734e+04, 19.6186974] - [20.9051806, 0.0229956432, -7.75343394e-06, 1.19262969e-09, -6.87612656e-14, -5.04678003e+04, -76.1623703] note: 9/8/14 - name: NC5KET31 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1431.0, 5000.0] data: - [4.06393861, 0.0546274576, -2.50666165e-05, 2.02312915e-09, 1.00150274e-12, -4.41625e+04, 15.9654525] - [21.4962676, 0.022065898, -7.35490387e-06, 1.12358588e-09, -6.45028163e-14, -5.08471346e+04, -80.2429953] note: 9/8/14 - name: NC5KET32 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.380342038, 0.0767072849, -5.67635185e-05, 2.07068449e-08, -2.96497951e-12, -4.41579478e+04, 32.10977] - [24.3326367, 0.0202926765, -6.88030752e-06, 1.06352004e-09, -6.15648338e-14, -5.22889844e+04, -96.1325613] note: 9/8/14 - name: NC5KET12O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1377.0, 5000.0] data: - [2.82328315, 0.0556013887, -3.02956498e-05, 6.22735484e-09, -8.25379616e-14, -2.35055878e+04, 19.2120018] - [20.9367959, 0.0200874425, -7.0482967e-06, 1.11330293e-09, -6.53771464e-14, -3.04314417e+04, -80.4081881] note: 9/8/14 - name: NC5KET13O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1323.0, 5000.0] data: - [3.92095399, 0.0494038774, -1.99599619e-05, -1.05666833e-09, 1.70331197e-12, -2.43649054e+04, 13.3502699] - [21.122512, 0.019083024, -6.52403075e-06, 1.0136831e-09, -5.88793478e-14, -3.11151636e+04, -82.1812017] note: 9/8/14 - name: NC5KET14O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1323.0, 5000.0] data: - [3.92095399, 0.0494038774, -1.99599619e-05, -1.05666833e-09, 1.70331197e-12, -2.43649054e+04, 13.3502699] - [21.122512, 0.019083024, -6.52403075e-06, 1.0136831e-09, -5.88793478e-14, -3.11151636e+04, -82.1812017] note: 9/8/14 - name: NC5KET15O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1489.0, 5000.0] data: - [3.41522476, 0.0472023685, -1.6645322e-05, -2.3954881e-09, 1.83814508e-12, -2.21147912e+04, 17.7035103] - [19.2273388, 0.021134859, -7.3208866e-06, 1.14667396e-09, -6.69507752e-14, -2.85866827e+04, -70.8964819] note: 9/8/14 - name: NC5KET21O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1669.0, 5000.0] data: - [7.57725086, 0.0309672386, 2.94905694e-06, -1.10969895e-08, 3.01674992e-12, -2.56340563e+04, -2.16720088] - [15.5374345, 0.0265967153, -9.82520086e-06, 1.61087197e-09, -9.71864472e-14, -2.96220202e+04, -49.7983106] note: 9/8/14 - name: NC5KET23O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [3.56460361, 0.0518213432, -2.7033079e-05, 5.19426451e-09, 1.69499746e-14, -2.73448675e+04, 15.8030522] - [19.5245872, 0.0208858647, -7.2325714e-06, 1.13238277e-09, -6.60902126e-14, -3.34926354e+04, -72.1145428] note: 9/8/14 - name: NC5KET24O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [4.40946289, 0.0475586902, -2.19238261e-05, 2.4325049e-09, 5.88504938e-13, -2.76535939e+04, 11.739414] - [18.7900628, 0.021001024, -7.16188369e-06, 1.11001257e-09, -6.43339326e-14, -3.32898658e+04, -67.8862933] note: 9/8/14 - name: NC5KET25O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1433.0, 5000.0] data: - [4.40785464, 0.0434772079, -1.40284695e-05, -3.02310104e-09, 1.86768676e-12, -2.60265017e+04, 12.8766258] - [18.1303967, 0.0213611121, -7.24506108e-06, 1.11897303e-09, -6.47006005e-14, -3.16682816e+04, -64.1505194] note: 9/8/14 - name: NC5KET31O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [5.37524822, 0.0349659305, 3.67920037e-06, -1.56750631e-08, 4.84743343e-12, -2.61248405e+04, 8.64755527] - [19.241614, 0.0207624762, -7.12773261e-06, 1.11092657e-09, -6.46775655e-14, -3.25710561e+04, -71.9638232] note: 9/8/14 - name: NC5KET32O composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1539.0, 5000.0] data: - [4.55782533, 0.0455546283, -1.73485031e-05, -9.24152417e-10, 1.38889438e-12, -2.74919397e+04, 11.0596626] - [19.0206162, 0.0210022758, -7.20628551e-06, 1.12155484e-09, -6.51936687e-14, -3.33553472e+04, -69.7524186] note: 9/8/14 - name: NC5DIONE13 composition: {H: 8, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [1.16337913, 0.0532067868, -2.90297512e-05, 5.99807535e-09, -7.60467747e-14, -4.46714058e+04, 25.3180917] - [18.1672199, 0.0195477748, -6.78556722e-06, 1.06428037e-09, -6.21973311e-14, -5.11134997e+04, -68.0388452] note: 10/15THERM - name: NC5DIONE24 composition: {H: 8, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.2357385, 0.0544884679, -3.57895292e-05, 1.21944125e-08, -1.71810392e-12, -4.84057706e+04, 24.4807388] - [16.3259547, 0.0207678096, -7.12494176e-06, 1.10833798e-09, -6.43882952e-14, -5.3836132e+04, -57.1667682] note: 10/15THERM - name: C5H10OH23 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1447.0, 5000.0] data: - [0.923102001, 0.058473243, -3.47946675e-05, 9.61256846e-09, -8.6403922e-13, -1.72758426e+04, 28.4227761] - [17.0150141, 0.0235005444, -7.77847758e-06, 1.18102788e-09, -6.74584591e-14, -2.30013982e+04, -58.7178603] note: 9/8/14 - name: O2C5H10OH23 composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [1.4829299, 0.0792100619, -6.45238925e-05, 2.75597603e-08, -4.74651399e-12, -3.59663215e+04, 26.0236189] - [22.5663309, 0.0236960784, -7.89320309e-06, 1.20343029e-09, -6.89316529e-14, -4.25964462e+04, -84.872963] note: 9/8/14 - name: OCH2CHO composition: {H: 3, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1468.0, 5000.0] data: - [6.12784775, 6.67998271e-03, 1.00125301e-05, -1.06887671e-08, 2.76652784e-12, -1.28216539e+04, -0.809763223] - [9.83472746, 7.77895515e-03, -2.78174926e-06, 4.44911597e-10, -2.6353028e-14, -1.50740413e+04, -24.1644767] note: 9/8/14 - name: CH2OCH2CHO composition: {H: 5, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [4.09796526, 0.0250971166, -1.04380487e-05, 6.95156168e-10, 3.93228907e-13, -1.51203149e+04, 11.6942054] - [11.1192754, 0.01279129, -4.35464414e-06, 6.73922275e-10, -3.90118722e-14, -1.79694096e+04, -27.4688068] note: 9/8/14 - name: C2H4OCHO composition: {H: 5, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1684.0, 5000.0] data: - [3.11985293, 0.031951412, -1.67508873e-05, 3.25914973e-09, -4.96818754e-14, -1.76239471e+04, 14.2845094] - [12.2682078, 0.0137336751, -5.06732537e-06, 8.30265992e-10, -5.00728023e-14, -2.09125606e+04, -35.6985038] note: 9/8/14 - name: C5H10OOH1-3OH composition: {H: 12, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [0.354670341, 0.08278254, -6.38327513e-05, 2.58589986e-08, -4.28053334e-12, -5.04620388e+04, 32.7492018] - [23.1192753, 0.0259986683, -8.82860426e-06, 1.3639572e-09, -7.88606733e-14, -5.79892376e+04, -88.1999105] note: 10/14/15 - name: C5H10OOH2-4OH composition: {H: 12, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [0.769420941, 0.0847002755, -6.89331076e-05, 2.93938563e-08, -5.06044347e-12, -5.26556407e+04, 28.8739602] - [23.5162773, 0.025143599, -8.42079438e-06, 1.2886761e-09, -7.4010776e-14, -5.9855761e+04, -90.9142876] note: 10/14/15 - name: C5H10OOH3-1OH composition: {H: 12, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [0.753538721, 0.0816716738, -6.11918401e-05, 2.36490302e-08, -3.69940856e-12, -5.05457936e+04, 30.5276339] - [23.8716811, 0.0253396515, -8.59895412e-06, 1.32803347e-09, -7.67709894e-14, -5.82703781e+04, -92.6845624] note: 10/14/15 - name: NC5CYCPER13 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [-4.9945389, 0.0945988114, -7.58465481e-05, 3.02152876e-08, -4.76416624e-12, -4.59881161e+04, 51.3024248] - [24.1561308, 0.0224095731, -7.74873939e-06, 1.21233645e-09, -7.07323367e-14, -5.55344567e+04, -103.522127] note: 11/15THERM - name: NC5CYCPER24 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [-4.25869873, 0.0926924392, -7.79864322e-05, 3.34971276e-08, -5.74390775e-12, -4.76901635e+04, 46.2163973] - [22.2820691, 0.0233310062, -7.91636135e-06, 1.22269476e-09, -7.06906786e-14, -5.60698326e+04, -93.5418515] note: 11/15THERM - name: NC5CYCPER31 composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [-4.01647605, 0.0890855731, -7.09557408e-05, 2.89246712e-08, -4.75384108e-12, -4.5627432e+04, 46.5938612] - [22.0861156, 0.0239837041, -8.24798762e-06, 1.28546679e-09, -7.47886437e-14, -5.42162418e+04, -92.0233359] note: 11/15THERM - name: IC5H12 composition: {H: 12, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-1.61700908, 0.0668962508, -4.6539479e-05, 1.75637406e-08, -2.80513304e-12, -2.03922408e+04, 32.7016966] - [15.8024165, 0.0258962455, -8.80211277e-06, 1.36051024e-09, -7.86804753e-14, -2.648767e+04, -60.8691324] note: 17/8/15 - name: AC5H11 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-1.22777654, 0.0632926027, -4.52076107e-05, 1.75515079e-08, -2.87257258e-12, 4325.62497, 33.8598206] - [15.2292407, 0.0238482717, -8.09849455e-06, 1.25096662e-09, -7.23133933e-14, -1358.28406, -54.2832371] note: 17/8/15 - name: BC5H11 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.6584316, 0.046086815, -1.82956944e-05, 8.82319315e-10, 7.56537666e-13, 1290.54584, 21.2275239] - [14.1464948, 0.0248340049, -8.45503425e-06, 1.30848803e-09, -7.5742913e-14, -3880.01657, -48.7192778] note: 17/8/15 - name: CC5H11 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.197886349, 0.053521944, -2.95961594e-05, 7.61177489e-09, -6.4532856e-13, 2665.42853, 27.8232188] - [14.3628831, 0.0243459715, -8.21904266e-06, 1.26457869e-09, -7.28991288e-14, -2645.93539, -49.6386458] note: 17/8/15 - name: DC5H11 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-1.22777654, 0.0632926027, -4.52076107e-05, 1.75515079e-08, -2.87257258e-12, 4325.62497, 33.1703389] - [15.2292407, 0.0238482717, -8.09849455e-06, 1.25096662e-09, -7.23133933e-14, -1358.28406, -54.9727188] note: 17/8/15 - name: AC5H9O-A2 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1364.0, 5000.0] data: - [4.66263417, 0.0389775126, -1.12815501e-05, -2.66550677e-09, 1.40115432e-12, 1470.86581, 8.21346271] - [16.7516787, 0.0216463662, -7.61269705e-06, 1.20404408e-09, -7.07632803e-14, -3958.4836, -60.8201916] note: 9/8/14 - name: AC5H11O2H composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-0.476374815, 0.0783789321, -5.91712555e-05, 2.38263919e-08, -3.9773227e-12, -3.05087904e+04, 33.2977557] - [20.8513274, 0.026081103, -8.91735578e-06, 1.38397232e-09, -8.02716539e-14, -3.77194279e+04, -80.4522304] note: 17/8/15 - name: BC5H11O2H composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [0.748347855, 0.0754437451, -5.69961198e-05, 2.32342064e-08, -3.94363492e-12, -3.49638594e+04, 23.5201019] - [20.7291068, 0.0260358698, -8.86783077e-06, 1.37263265e-09, -7.94629195e-14, -4.16991829e+04, -82.9348605] note: 17/8/15 - name: CC5H11O2H composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [-6.30156824e-03, 0.0801495977, -6.42108793e-05, 2.73711292e-08, -4.76268611e-12, -3.27129034e+04, 28.4639321] - [21.1504126, 0.0253098885, -8.537039e-06, 1.31271216e-09, -7.56412244e-14, -3.95275084e+04, -83.2515675] note: 17/8/15 - name: DC5H11O2H composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-0.476374815, 0.0783789321, -5.91712555e-05, 2.38263919e-08, -3.9773227e-12, -3.05087904e+04, 32.6082741] - [20.8513274, 0.026081103, -8.91735578e-06, 1.38397232e-09, -8.02716539e-14, -3.77194279e+04, -81.141712] note: 17/8/15 - name: AC5H11O2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.354375282, 0.0721758552, -5.35556462e-05, 2.12668171e-08, -3.51577739e-12, -1.38320365e+04, 29.9444593] - [19.8700905, 0.0247772405, -8.46413614e-06, 1.31283774e-09, -7.61129402e-14, -2.04831687e+04, -74.3156588] note: 17/8/15 - name: BC5H11O2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.53424363, 0.0694504944, -5.16917529e-05, 2.08690207e-08, -3.5255251e-12, -1.82806722e+04, 20.3720098] - [19.7546009, 0.0247324523, -8.41611775e-06, 1.30187335e-09, -7.53316999e-14, -2.4467182e+04, -76.841419] note: 17/8/15 - name: CC5H11O2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [0.715981794, 0.0744249188, -5.92758872e-05, 2.52115515e-08, -4.38572885e-12, -1.60198108e+04, 25.6128856] - [20.2075561, 0.0239554458, -8.06286681e-06, 1.23797865e-09, -7.12608001e-14, -2.23074093e+04, -77.3358025] note: 17/8/15 - name: DC5H11O2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.354375282, 0.0721758552, -5.35556462e-05, 2.12668171e-08, -3.51577739e-12, -1.38320365e+04, 29.2549776] - [19.8700905, 0.0247772405, -8.46413614e-06, 1.31283774e-09, -7.61129402e-14, -2.04831687e+04, -75.0051405] note: 17/8/15 - name: AC5H11O composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.843924842, 0.0629723769, -4.12079336e-05, 1.37396229e-08, -1.84097585e-12, -1.25819035e+04, 25.0753974] - [18.2339413, 0.0237923987, -8.07056384e-06, 1.24592855e-09, -7.19996103e-14, -1.87450473e+04, -68.7958505] note: 17/8/15 - name: BC5H11O composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [3.67366095, 0.0517139422, -2.49457898e-05, 4.54084943e-09, -3.31184982e-14, -1.63228e+04, 9.40461313] - [18.5549393, 0.0244786662, -8.5192688e-06, 1.33803108e-09, -7.82547188e-14, -2.23664355e+04, -73.3946136] note: 17/8/15 - name: CC5H11O composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [0.691613929, 0.0660697133, -4.75285795e-05, 1.81072449e-08, -2.84499699e-12, -1.46546569e+04, 23.6233979] - [18.3213656, 0.0235429297, -7.9447046e-06, 1.22205357e-09, -7.04356618e-14, -2.06340316e+04, -70.5656058] note: 17/8/15 - name: DC5H11O composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.843924842, 0.0629723769, -4.12079336e-05, 1.37396229e-08, -1.84097585e-12, -1.25819035e+04, 24.3859158] - [18.2339413, 0.0237923987, -8.07056384e-06, 1.24592855e-09, -7.19996103e-14, -1.87450473e+04, -69.4853322] note: 17/8/15 - name: AC5H10OOH-A composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-0.089396786, 0.074808341, -5.79088207e-05, 2.38676428e-08, -4.05836117e-12, -5791.20759, 33.7720278] - [20.275916, 0.0240402125, -8.21726177e-06, 1.27508622e-09, -7.3947043e-14, -1.25890306e+04, -74.543254] note: 17/8/15 - name: AC5H10OOH-B composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [3.65133886, 0.0570948447, -3.30634881e-05, 9.52430167e-09, -1.08604128e-12, -9155.24576, 17.3958096] - [19.036205, 0.0251437855, -8.60836129e-06, 1.3371566e-09, -7.76005723e-14, -1.49721354e+04, -66.7702235] note: 17/8/15 - name: AC5H10OOH-C composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.24166589, 0.0655076365, -4.30153204e-05, 1.43717235e-08, -1.92812556e-12, -7438.57517, 28.8519661] - [19.4269993, 0.02451674, -8.32902433e-06, 1.28716724e-09, -7.44370182e-14, -1.3880871e+04, -69.3043169] note: 17/8/15 - name: AC5H10OOH-D composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-0.089396786, 0.074808341, -5.79088207e-05, 2.38676428e-08, -4.05836117e-12, -5791.20759, 33.7720278] - [20.275916, 0.0240402125, -8.21726177e-06, 1.27508622e-09, -7.3947043e-14, -1.25890306e+04, -74.543254] note: 17/8/15 - name: BC5H10OOH-A composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [1.67959171, 0.0703876561, -5.38977495e-05, 2.22634984e-08, -3.8205282e-12, -1.03820042e+04, 22.063405] - [20.3178088, 0.0239005589, -8.14494395e-06, 1.26119353e-09, -7.30298864e-14, -1.66270976e+04, -77.100885] note: 17/8/15 - name: BC5H10OOH-C composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.66396895, 0.0653351355, -4.66109297e-05, 1.79783399e-08, -2.91993271e-12, -1.18409318e+04, 16.7474134] - [19.9231299, 0.0242352995, -8.26025374e-06, 1.2791715e-09, -7.40756855e-14, -1.78272692e+04, -75.7847609] note: 17/8/15 - name: BC5H10OOH-D composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [1.11609641, 0.0719622376, -5.5867813e-05, 2.33617578e-08, -4.04450304e-12, -1.0243479e+04, 24.0826139] - [20.1548441, 0.0239990126, -8.17021719e-06, 1.26424565e-09, -7.31718505e-14, -1.65704721e+04, -77.035745] note: 17/8/15 - name: CC5H10OOH-A composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [0.328493553, 0.0768086128, -6.32799786e-05, 2.76118292e-08, -4.88689574e-12, -7987.41223, 29.8696048] - [20.5911398, 0.0232493648, -7.82909968e-06, 1.20250807e-09, -6.92366559e-14, -1.4404728e+04, -76.7476901] note: 17/8/15 - name: CC5H10OOH-B composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [3.95783406, 0.0596255587, -3.92210129e-05, 1.37408612e-08, -2.01545549e-12, -1.13357528e+04, 13.3114157] - [19.3820434, 0.0243097282, -8.20157483e-06, 1.26129144e-09, -7.268367e-14, -1.6796938e+04, -69.8331441] note: 17/8/15 - name: CC5H10OOH-D composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [0.913421824, 0.0751513908, -6.12062984e-05, 2.6460619e-08, -4.65308639e-12, -8129.47001, 26.3697984] - [20.7406543, 0.0231706906, -7.81225857e-06, 1.20092134e-09, -6.91854899e-14, -1.44555167e+04, -78.1145448] note: 17/8/15 - name: DC5H10OOH-A composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-0.089396786, 0.074808341, -5.79088207e-05, 2.38676428e-08, -4.05836117e-12, -5791.20759, 33.7720278] - [20.275916, 0.0240402125, -8.21726177e-06, 1.27508622e-09, -7.3947043e-14, -1.25890306e+04, -74.543254] note: 17/8/15 - name: DC5H10OOH-B composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.7445807, 0.0578236417, -3.12391216e-05, 7.31571468e-09, -4.50890257e-13, -8818.62238, 22.0756898] - [19.2228072, 0.0250236156, -8.57782354e-06, 1.33372065e-09, -7.74604723e-14, -1.51282565e+04, -68.471505] note: 17/8/15 - name: DC5H10OOH-C composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.46801586, 0.0681101661, -4.85321406e-05, 1.84083386e-08, -2.91720161e-12, -7389.26206, 25.7094934] - [20.0395081, 0.0242832982, -8.31027809e-06, 1.29054421e-09, -7.48846024e-14, -1.38460294e+04, -73.9591237] note: 17/8/15 - name: A-AC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1452.0, 5000.0] data: - [-7.03245567, 0.0838427156, -6.9490108e-05, 2.9431545e-08, -4.93197232e-12, -1.67184162e+04, 59.1467747] - [15.8864128, 0.0227072724, -7.40383518e-06, 1.11238546e-09, -6.30611661e-14, -2.37201682e+04, -60.9113819] note: 17/8/15 - name: A-BC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-2.81578161, 0.070414995, -5.235937e-05, 1.9992934e-08, -3.05569594e-12, -1.99079507e+04, 38.8311343] - [16.6888391, 0.0223672932, -7.44828561e-06, 1.13557959e-09, -6.5051673e-14, -2.63127117e+04, -64.8349416] note: 17/8/15 - name: A-CC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1429.0, 5000.0] data: - [-7.16060704, 0.0870140494, -7.59660975e-05, 3.37198215e-08, -5.8739287e-12, -1.92027788e+04, 58.9164749] - [16.2176252, 0.0218775843, -7.00340935e-06, 1.03851279e-09, -5.83155214e-14, -2.60452902e+04, -62.5262539] note: 17/8/15 - name: A-DC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1453.0, 5000.0] data: - [-8.99708918, 0.0881388493, -7.28825964e-05, 3.06897382e-08, -5.10685687e-12, -2.67791824e+04, 68.8674277] - [15.3604709, 0.0235100197, -7.66793178e-06, 1.15245719e-09, -6.53534048e-14, -3.42487879e+04, -58.8396065] note: 17/8/15 - name: B-CC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-4.02733813, 0.0775766076, -6.31068363e-05, 2.66344724e-08, -4.52085229e-12, -2.22133168e+04, 42.3801047] - [17.2822083, 0.0221811831, -7.45086135e-06, 1.14266526e-09, -6.57264262e-14, -2.89756909e+04, -69.9425869] note: 9/8/14 - name: B-DC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-4.57207704, 0.0733362569, -5.36913946e-05, 2.00360735e-08, -2.97590047e-12, -2.07808158e+04, 46.0627306] - [15.9398262, 0.0234035968, -7.80111462e-06, 1.19023227e-09, -6.8218827e-14, -2.75659851e+04, -63.1518634] note: 9/8/14 - name: C-DC5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1415.0, 5000.0] data: - [-7.94334743, 0.0936350437, -8.55713608e-05, 3.97013264e-08, -7.24456558e-12, -1.79116899e+04, 62.3627456] - [17.5721707, 0.0216805796, -7.22379193e-06, 1.10170103e-09, -6.3122244e-14, -2.54336652e+04, -70.1131722] note: 17/8/15 - name: AC5H10OOH-AO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.4795922, 0.083766871, -6.63705552e-05, 2.76480297e-08, -4.71460623e-12, -2.39474084e+04, 29.9187562] - [24.9284926, 0.0249502228, -8.57455029e-06, 1.33547829e-09, -7.76537998e-14, -3.17167911e+04, -94.633309] note: 8/15 - name: AC5H10OOH-BO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.66224628, 0.0810932443, -6.46324438e-05, 2.73538724e-08, -4.75157092e-12, -2.83982547e+04, 21.004188] - [24.8032671, 0.0249329192, -8.54000436e-06, 1.32701219e-09, -7.70333881e-14, -3.56964132e+04, -96.4200661] note: 8/15 - name: AC5H10OOH-CO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.83495697, 0.0860948213, -7.22651143e-05, 3.17312304e-08, -5.62009843e-12, -2.61355447e+04, 26.2902691] - [25.2420639, 0.0241694359, -8.19141254e-06, 1.26381882e-09, -7.3001512e-14, -3.3530524e+04, -96.8327377] note: 8/15 - name: AC5H10OOH-DO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.4795922, 0.083766871, -6.63705552e-05, 2.76480297e-08, -4.71460623e-12, -2.39474084e+04, 29.9187562] - [24.9284926, 0.0249502228, -8.57455029e-06, 1.33547829e-09, -7.76537998e-14, -3.17167911e+04, -94.633309] note: 8/15 - name: BC5H10OOH-AO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.66224628, 0.0810932443, -6.46324438e-05, 2.73538724e-08, -4.75157092e-12, -2.83982547e+04, 21.004188] - [24.8032671, 0.0249329192, -8.54000436e-06, 1.32701219e-09, -7.70333881e-14, -3.56964132e+04, -96.4200661] note: 8/15 - name: BC5H10OOH-CO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.92757922, 0.0837497935, -7.09476834e-05, 3.16521003e-08, -5.69638239e-12, -3.05708429e+04, 17.1231211] - [25.1614268, 0.0240667268, -8.11773937e-06, 1.24830451e-09, -7.19346846e-14, -3.7527406e+04, -99.5533661] note: 8/15 - name: BC5H10OOH-DO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.66224628, 0.0810932443, -6.46324438e-05, 2.73538724e-08, -4.75157092e-12, -2.83982547e+04, 20.3147064] - [24.8032671, 0.0249329192, -8.54000436e-06, 1.32701219e-09, -7.70333881e-14, -3.56964132e+04, -97.1095477] note: 8/15 - name: CC5H10OOH-AO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.83495697, 0.0860948213, -7.22651143e-05, 3.17312304e-08, -5.62009843e-12, -2.61355447e+04, 26.2902691] - [25.2420639, 0.0241694359, -8.19141254e-06, 1.26381882e-09, -7.3001512e-14, -3.3530524e+04, -96.8327377] note: 8/15 - name: CC5H10OOH-BO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.92757922, 0.0837497935, -7.09476834e-05, 3.16521003e-08, -5.69638239e-12, -3.05708429e+04, 17.1231211] - [25.1614268, 0.0240667268, -8.11773937e-06, 1.24830451e-09, -7.19346846e-14, -3.7527406e+04, -99.5533661] note: 8/15 - name: CC5H10OOH-DO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.83495697, 0.0860948213, -7.22651143e-05, 3.17312304e-08, -5.62009843e-12, -2.61355447e+04, 25.6007875] - [25.2420639, 0.0241694359, -8.19141254e-06, 1.26381882e-09, -7.3001512e-14, -3.3530524e+04, -97.5222193] note: 8/15 - name: DC5H10OOH-AO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.4795922, 0.083766871, -6.63705552e-05, 2.76480297e-08, -4.71460623e-12, -2.39474084e+04, 29.9187562] - [24.9284926, 0.0249502228, -8.57455029e-06, 1.33547829e-09, -7.76537998e-14, -3.17167911e+04, -94.633309] note: 8/15 - name: DC5H10OOH-BO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [2.66224628, 0.0810932443, -6.46324438e-05, 2.73538724e-08, -4.75157092e-12, -2.83982547e+04, 20.3147064] - [24.8032671, 0.0249329192, -8.54000436e-06, 1.32701219e-09, -7.70333881e-14, -3.56964132e+04, -97.1095477] note: 8/15 - name: DC5H10OOH-CO2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.83495697, 0.0860948213, -7.22651143e-05, 3.17312304e-08, -5.62009843e-12, -2.61355447e+04, 25.6007875] - [25.2420639, 0.0241694359, -8.19141254e-06, 1.26381882e-09, -7.3001512e-14, -3.3530524e+04, -97.5222193] note: 8/15 - name: C5H9A-A,BOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [2.87832948, 0.0817084683, -6.64693824e-05, 2.8554539e-08, -5.00710723e-12, -2.05092635e+04, 21.6842979] - [25.3148126, 0.0241050499, -8.26152052e-06, 1.28429464e-09, -7.45769254e-14, -2.78251062e+04, -97.0436295] note: 8/15 - name: C5H9A-A,COOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [1.46543304, 0.0883867154, -7.62009797e-05, 3.41128921e-08, -6.11972135e-12, -1.81049887e+04, 29.7796524] - [25.5933245, 0.02346775, -7.95418684e-06, 1.22729993e-09, -7.08960495e-14, -2.5609612e+04, -96.7335324] note: 8/15 - name: C5H9A-A,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.03378269, 0.0863930746, -7.07031565e-05, 3.02282342e-08, -5.25110249e-12, -1.59058366e+04, 33.7540294] - [25.3362233, 0.0242043007, -8.32306052e-06, 1.2968501e-09, -7.54306895e-14, -2.38227509e+04, -94.8747338] note: 8/15 - name: C5H9A-B,COOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [3.12194965, 0.0844868328, -7.28869575e-05, 3.29012852e-08, -5.96274974e-12, -2.2679979e+04, 18.5842452] - [25.6997668, 0.0232725079, -7.86284471e-06, 1.21047841e-09, -6.98107824e-14, -2.96771591e+04, -99.6712347] note: 8/15 - name: C5H9A-B,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [2.87832948, 0.0817084683, -6.64693824e-05, 2.8554539e-08, -5.00710723e-12, -2.05092635e+04, 21.6842979] - [25.3148126, 0.0241050499, -8.26152052e-06, 1.28429464e-09, -7.45769254e-14, -2.78251062e+04, -97.0436295] note: 8/15 - name: C5H9A-C,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [1.46543304, 0.0883867154, -7.62009797e-05, 3.41128921e-08, -6.11972135e-12, -1.81049887e+04, 29.7796524] - [25.5933245, 0.02346775, -7.95418684e-06, 1.22729993e-09, -7.08960495e-14, -2.5609612e+04, -96.7335324] note: 8/15 - name: C5H9B-A,AOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [4.28350134, 0.0683511301, -4.42293137e-05, 1.46614813e-08, -1.99882623e-12, -1.91209818e+04, 19.5267791] - [23.7032599, 0.0257553915, -8.89408554e-06, 1.38970172e-09, -8.09866916e-14, -2.62015201e+04, -85.8515282] note: 8/15 - name: C5H9B-A,COOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1675.0, 5000.0] data: - [5.06775026, 0.071333994, -5.2264913e-05, 2.02919064e-08, -3.25625167e-12, -2.14500744e+04, 14.0310906] - [24.4195505, 0.024518296, -8.32768546e-06, 1.2866981e-09, -7.43971425e-14, -2.80210816e+04, -89.3466817] note: 8/15 - name: C5H9B-A,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [4.28350134, 0.0683511301, -4.42293137e-05, 1.46614813e-08, -1.99882623e-12, -1.91209818e+04, 20.2162608] - [23.7032599, 0.0257553915, -8.89408554e-06, 1.38970172e-09, -8.09866916e-14, -2.62015201e+04, -85.1620466] note: 8/15 - name: C5H9B-C,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1675.0, 5000.0] data: - [5.06775026, 0.071333994, -5.2264913e-05, 2.02919064e-08, -3.25625167e-12, -2.14500744e+04, 12.6521274] - [24.4195505, 0.024518296, -8.32768546e-06, 1.2866981e-09, -7.43971425e-14, -2.80210816e+04, -90.725645] note: 8/15 - name: C5H9C-A,AOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1681.0, 5000.0] data: - [2.40737385, 0.073184475, -4.34551328e-05, 1.06843813e-08, -6.06073375e-13, -1.74826725e+04, 28.6070302] - [26.3011187, 0.0238231644, -8.29527214e-06, 1.30384489e-09, -7.63133641e-14, -2.62801782e+04, -101.764259] note: 8/15 - name: C5H9C-A,BOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [3.83902707, 0.0767534526, -5.93019661e-05, 2.43350243e-08, -4.12011052e-12, -2.19645331e+04, 17.1683879] - [24.9289305, 0.0244398284, -8.37848298e-06, 1.30269965e-09, -7.56543783e-14, -2.90312299e+04, -95.0950095] note: 8/15 - name: C5H9C-A,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1681.0, 5000.0] data: - [2.40737385, 0.073184475, -4.34551328e-05, 1.06843813e-08, -6.06073375e-13, -1.74826725e+04, 29.2965119] - [26.3011187, 0.0238231644, -8.29527214e-06, 1.30384489e-09, -7.63133641e-14, -2.62801782e+04, -101.074777] note: 8/15 - name: C5H9C-B,DOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [3.83902707, 0.0767534526, -5.93019661e-05, 2.43350243e-08, -4.12011052e-12, -2.19645331e+04, 16.4789063] - [24.9289305, 0.0244398284, -8.37848298e-06, 1.30269965e-09, -7.56543783e-14, -2.90312299e+04, -95.7844912] note: 8/15 - name: C5H9D-A,AOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.03378269, 0.0863930746, -7.07031565e-05, 3.02282342e-08, -5.25110249e-12, -1.59058366e+04, 33.0645478] - [25.3362233, 0.0242043007, -8.32306052e-06, 1.2968501e-09, -7.54306895e-14, -2.38227509e+04, -95.5642154] note: 8/15 - name: C5H9D-A,BOOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [2.27985031, 0.0834372048, -6.86098141e-05, 2.97415611e-08, -5.24930633e-12, -2.03658212e+04, 24.5531752] - [25.1743725, 0.0242094413, -8.2942702e-06, 1.28906994e-09, -7.48414448e-14, -2.77836927e+04, -96.4353283] note: 8/15 - name: C5H9D-A,COOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [2.13973267, 0.0863107772, -7.36971527e-05, 3.27651712e-08, -5.85073945e-12, -1.82585105e+04, 26.567514] - [25.653828, 0.0234057032, -7.93032646e-06, 1.22331141e-09, -7.0652862e-14, -2.56105413e+04, -96.8592428] note: 8/15 - name: C5H9D-B,COOH composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [3.12194965, 0.0844868328, -7.28869575e-05, 3.29012852e-08, -5.96274974e-12, -2.2679979e+04, 17.8947636] - [25.6997668, 0.0232725079, -7.86284471e-06, 1.21047841e-09, -6.98107824e-14, -2.96771591e+04, -100.360716] note: 8/15 - name: C5H9A-AOOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.566437031, 0.0751592771, -5.92588303e-05, 2.44464873e-08, -4.14011509e-12, -1.49441419e+04, 34.6236211] - [21.2338541, 0.0214695668, -7.41711017e-06, 1.15964346e-09, -6.76214281e-14, -2.22824726e+04, -81.5535062] note: 9/8/14 - name: C5H9A-COOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-2.23218718, 0.0831068782, -6.96695008e-05, 2.98090622e-08, -5.11291423e-12, -1.66665651e+04, 39.3336979] - [22.1762503, 0.0202997794, -6.93527858e-06, 1.07653985e-09, -6.24712973e-14, -2.45061123e+04, -89.6059444] note: 9/8/14 - name: C5H9A-DOOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.584051402, 0.0661435369, -4.64794214e-05, 1.71320929e-08, -2.6212907e-12, -1.66564666e+04, 29.0021482] - [19.1192483, 0.0231083713, -7.94263265e-06, 1.23713692e-09, -7.19377465e-14, -2.31563003e+04, -70.6976781] note: 9/8/14 - name: C5H9B-AOOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.549656384, 0.070499031, -5.27825801e-05, 2.06470792e-08, -3.33664189e-12, -1.64635942e+04, 28.7891957] - [21.1330268, 0.0215086873, -7.42113144e-06, 1.15934717e-09, -6.75687044e-14, -2.35608139e+04, -81.5040563] note: 9/8/14 - name: C5H9B-DOOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.549656384, 0.070499031, -5.27825801e-05, 2.06470792e-08, -3.33664189e-12, -1.64635942e+04, 28.7891957] - [21.1330268, 0.0215086873, -7.42113144e-06, 1.15934717e-09, -6.75687044e-14, -2.35608139e+04, -81.5040563] note: 9/8/14 - name: C5H9C-AOOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.0133187657, 0.0692568397, -5.06647207e-05, 1.94153559e-08, -3.06921462e-12, -1.60254301e+04, 31.7599798] - [19.5116301, 0.022772306, -7.82629606e-06, 1.21895173e-09, -7.08783753e-14, -2.27377278e+04, -72.8224624] note: 9/8/14 - name: C5H9C-BOOH composition: {H: 10, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-1.04862343, 0.0826699722, -7.1794194e-05, 3.18245309e-08, -5.62912876e-12, -1.90383401e+04, 34.1116802] - [23.0088665, 0.0191355851, -6.44358123e-06, 9.9122512e-10, -5.71817398e-14, -2.66103173e+04, -92.4108219] note: 9/8/14 - name: C5H9OA-AOOH-B composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [-5.49708925, 0.0947288852, -8.00296268e-05, 3.42124943e-08, -5.80022917e-12, -3.11441575e+04, 54.0078635] - [21.7927261, 0.0230720633, -7.77386468e-06, 1.19507605e-09, -6.88699665e-14, -3.96712246e+04, -89.4813847] note: 8/15 - name: C5H9OA-AOOH-C composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-6.41150803, 0.0994317564, -8.58615548e-05, 3.70273302e-08, -6.27783473e-12, -2.88551995e+04, 59.8124271] - [22.7244179, 0.0220779072, -7.39099655e-06, 1.13153303e-09, -6.50287263e-14, -3.78217375e+04, -92.9947975] note: 8/15 - name: C5H9OA-AOOH-D composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-8.39507263, 0.105102811, -9.37685656e-05, 4.22174145e-08, -7.50607159e-12, -2.64325286e+04, 70.1690143] - [21.6522955, 0.0234455715, -7.9566619e-06, 1.22905457e-09, -7.10634551e-14, -3.55963177e+04, -86.9264178] note: 8/15 - name: C5H9OA-BOOH-A composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-1.90416408, 0.0828866784, -6.64998506e-05, 2.72221761e-08, -4.4471133e-12, -2.99886544e+04, 39.8116691] - [21.7022735, 0.0226119914, -7.58981668e-06, 1.16366327e-09, -6.6930813e-14, -3.75365241e+04, -84.9179287] note: 8/15 - name: C5H9OA-BOOH-C composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-0.448273125, 0.0790873425, -5.9707986e-05, 2.24183926e-08, -3.31048774e-12, -3.23280594e+04, 31.2502863] - [23.2822727, 0.0216339746, -7.33435063e-06, 1.13242966e-09, -6.5465529e-14, -4.01984498e+04, -95.1976254] note: 8/15 - name: C5H9OA-BOOH-D composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-1.90416408, 0.0828866784, -6.64998506e-05, 2.72221761e-08, -4.4471133e-12, -2.99886544e+04, 39.8116691] - [21.7022735, 0.0226119914, -7.58981668e-06, 1.16366327e-09, -6.6930813e-14, -3.75365241e+04, -84.9179287] note: 8/15 - name: C5H9OA-COOH-A composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-8.23567336, 0.106958451, -9.8017548e-05, 4.50653157e-08, -8.12667607e-12, -2.89611267e+04, 69.3052953] - [21.9787258, 0.0227762232, -7.64127053e-06, 1.17119291e-09, -6.73502124e-14, -3.7940048e+04, -87.8800726] note: 8/15 - name: C5H9OA-COOH-B composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1427.0, 5000.0] data: - [-6.82291569, 0.103424198, -9.51789693e-05, 4.41170689e-08, -8.01854503e-12, -3.34508247e+04, 59.2928651] - [21.8581268, 0.0226582661, -7.55183274e-06, 1.15215111e-09, -6.60356238e-14, -4.18939906e+04, -89.6205075] note: 8/15 - name: C5H9OA-COOH-D composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-8.23567336, 0.106958451, -9.8017548e-05, 4.50653157e-08, -8.12667607e-12, -2.89611267e+04, 69.3052953] - [21.9787258, 0.0227762232, -7.64127053e-06, 1.17119291e-09, -6.73502124e-14, -3.7940048e+04, -87.8800726] note: 8/15 - name: C5H9OA-DOOH-A composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1412.0, 5000.0] data: - [-10.5445809, 0.109794719, -9.75108462e-05, 4.36190126e-08, -7.70228936e-12, -3.64529482e+04, 81.5338458] - [21.0306351, 0.0243651936, -8.26752696e-06, 1.27699187e-09, -7.38333381e-14, -4.61055228e+04, -83.6588979] note: 8/15 - name: C5H9OA-DOOH-B composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-8.94627226, 0.105725319, -9.40624065e-05, 4.23682039e-08, -7.53895269e-12, -4.09789989e+04, 70.6042654] - [20.9160528, 0.0242617893, -8.18691855e-06, 1.25968394e-09, -7.26328496e-14, -5.00500176e+04, -85.4043566] note: 8/15 - name: C5H9OA-DOOH-C composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-10.0859009, 0.111154142, -1.00718064e-04, 4.5740562e-08, -8.16324506e-12, -3.86489157e+04, 77.5075179] - [21.7931949, 0.0235822973, -7.96856856e-06, 1.2273941e-09, -7.08291072e-14, -4.8248339e+04, -88.7831309] note: 8/15 - name: C5H9OB-COOH-A composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1427.0, 5000.0] data: - [-2.03626914, 0.0844316222, -6.63448448e-05, 2.58620472e-08, -3.95367034e-12, -3.20450331e+04, 39.1516619] - [23.3660026, 0.0212967547, -7.16311642e-06, 1.10028483e-09, -6.33839052e-14, -4.02710909e+04, -95.5650042] note: 8/15 - name: C5H9OB-COOH-D composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1427.0, 5000.0] data: - [-2.03626914, 0.0844316222, -6.63448448e-05, 2.58620472e-08, -3.95367034e-12, -3.20450331e+04, 38.4621803] - [23.3660026, 0.0212967547, -7.16311642e-06, 1.10028483e-09, -6.33839052e-14, -4.02710909e+04, -96.2544859] note: 8/15 - name: C5H9OB-DOOH-A composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-3.52560638, 0.0853243101, -6.71300274e-05, 2.68114187e-08, -4.26214321e-12, -3.08855835e+04, 47.08121] - [20.9989877, 0.0235749161, -7.91024357e-06, 1.21256198e-09, -6.97360491e-14, -3.87964686e+04, -82.7787933] note: 9/14 - name: C5H9OB-DOOH-C composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-3.01430534, 0.0855622233, -6.67458085e-05, 2.61563238e-08, -4.06382943e-12, -3.30739466e+04, 42.2585328] - [22.3010712, 0.0228353062, -7.73563047e-06, 1.19365671e-09, -6.89722094e-14, -4.13407064e+04, -92.1482846] note: 9/14 - name: C5H9OC-DOOH-A composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-4.71787956, 0.0963722654, -8.44994419e-05, 3.7084959e-08, -6.39906257e-12, -2.83656016e+04, 53.1581269] - [23.2181188, 0.0212380409, -7.10087806e-06, 1.08610144e-09, -6.23742333e-14, -3.68812122e+04, -93.0381675] note: 8/15 - name: C5H9OC-DOOH-B composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-3.31967698, 0.0928312807, -8.14721652e-05, 3.59633071e-08, -6.24713097e-12, -3.28520059e+04, 42.5342095] - [23.159202, 0.0211055768, -7.01494893e-06, 1.06850406e-09, -6.11803452e-14, -4.08758474e+04, -95.8608672] note: 8/15 - name: CH3COCH2OCH2CH2 composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [2.46265398, 0.0531605978, -3.44158813e-05, 1.17106545e-08, -1.63587278e-12, -2.35149168e+04, 23.2544951] - [16.1915801, 0.0217259962, -7.18255818e-06, 1.08967551e-09, -6.22058703e-14, -2.83312411e+04, -50.6778787] note: '14' - name: IC5KETAA composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.55453432, 0.0648725206, -4.21449634e-05, 1.35396181e-08, -1.69771989e-12, -4.09936393e+04, 22.5509833] - [21.4062122, 0.0231814714, -7.94585296e-06, 1.23549697e-09, -7.17602293e-14, -4.77416322e+04, -79.4699242] note: 17/8/15 - name: IC5KETAB composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.27664489, 0.0819422293, -6.36165752e-05, 2.46645924e-08, -3.82375149e-12, -4.21788557e+04, 33.5972645] - [25.4563544, 0.0201871439, -7.02056943e-06, 1.1029838e-09, -6.45487927e-14, -5.0866611e+04, -103.884759] note: 17/8/15 - name: IC5KETAC composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1530.0, 5000.0] data: - [3.3836466, 0.0608702747, -3.15372777e-05, 4.94036887e-09, 4.82022927e-13, -4.3163856e+04, 17.4830999] - [23.6202007, 0.0216574723, -7.50493626e-06, 1.17597427e-09, -6.86855912e-14, -5.08399014e+04, -93.7964825] note: 17/8/15 - name: IC5KETAD composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.55453432, 0.0648725206, -4.21449634e-05, 1.35396181e-08, -1.69771989e-12, -4.09936393e+04, 22.5509833] - [21.4062122, 0.0231814714, -7.94585296e-06, 1.23549697e-09, -7.17602293e-14, -4.77416322e+04, -79.4699242] note: 17/8/15 - name: IC5KETCA composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [3.30504848, 0.061221247, -3.95733068e-05, 1.30417749e-08, -1.72022312e-12, -4.52388966e+04, 19.0774795] - [19.9169154, 0.0237975805, -8.01511093e-06, 1.2314006e-09, -7.09187874e-14, -5.1116936e+04, -70.5780003] note: 17/8/15 - name: IC5KETCB composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.499341353, 0.0779929244, -6.02225926e-05, 2.34360987e-08, -3.65044242e-12, -4.64243747e+04, 29.3525587] - [24.3081284, 0.0203116947, -6.88557448e-06, 1.06413626e-09, -6.15901378e-14, -5.43890101e+04, -97.62414] note: 17/8/15 - name: IC5KETCD composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-0.283543507, 0.0806299025, -6.46191514e-05, 2.62468255e-08, -4.26140982e-12, -4.3048617e+04, 35.1463538] - [23.7898908, 0.0204031709, -6.8416801e-06, 1.04954951e-09, -6.04313994e-14, -5.08956742e+04, -92.5390969] note: 17/8/15 - name: IC5KETDA composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.31890291, 0.070840807, -4.98675222e-05, 1.76320223e-08, -2.48535036e-12, -4.07142424e+04, 27.8334474] - [22.3252658, 0.0223009872, -7.62390887e-06, 1.18364958e-09, -6.86862585e-14, -4.7995421e+04, -85.0606082] note: 17/8/15 - name: IC5KETDB composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [2.45036196, 0.0683213847, -4.82822981e-05, 1.73840001e-08, -2.52418883e-12, -4.51554184e+04, 18.4815016] - [22.2545164, 0.0221858094, -7.54539826e-06, 1.16735178e-09, -6.75734913e-14, -5.19970461e+04, -87.8431657] note: 17/8/15 - name: IC5KETDC composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-2.47013912, 0.0930872396, -8.13203099e-05, 3.57768012e-08, -6.26400503e-12, -4.06868372e+04, 43.8329357] - [25.7459735, 0.0195157132, -6.70259887e-06, 1.0449338e-09, -6.08454008e-14, -4.96555982e+04, -104.885682] note: 17/8/15 - name: IC5KETAAO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1670.0, 5000.0] data: - [6.20340512, 0.0378488938, -8.21632367e-06, -4.45998794e-09, 1.6910444e-12, -2.33706795e+04, 3.88282175] - [15.4491093, 0.0258830088, -9.38194545e-06, 1.51919963e-09, -9.08764412e-14, -2.73128942e+04, -48.934913] note: 17/8/15 - name: IC5KETABO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1680.0, 5000.0] data: - [2.44492593, 0.053998822, -2.76353434e-05, 5.14986988e-09, -2.28548561e-14, -2.42538749e+04, 19.1347808] - [17.4003757, 0.0243634015, -8.89217693e-06, 1.4467295e-09, -8.68336325e-14, -2.96359315e+04, -62.6150618] note: 17/8/15 - name: IC5KETACO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [3.17102493, 0.0552252992, -3.48045866e-05, 1.07470812e-08, -1.26264879e-12, -2.54634549e+04, 16.0763592] - [18.775982, 0.0209363794, -7.11851372e-06, 1.10072541e-09, -6.36812526e-14, -3.1056092e+04, -68.4256552] note: 17/8/15 - name: IC5KETADO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1670.0, 5000.0] data: - [6.20340512, 0.0378488938, -8.21632367e-06, -4.45998794e-09, 1.6910444e-12, -2.33706795e+04, 3.88282175] - [15.4491093, 0.0258830088, -9.38194545e-06, 1.51919963e-09, -9.08764412e-14, -2.73128942e+04, -48.934913] note: 17/8/15 - name: IC5KETCAO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1514.0, 5000.0] data: - [4.75737279, 0.0452905574, -2.0952073e-05, 2.65371883e-09, 4.60703138e-13, -2.73333149e+04, 10.2325004] - [17.2485932, 0.0216326796, -7.22890702e-06, 1.10467817e-09, -6.33813429e-14, -3.21371394e+04, -58.664329] note: 17/8/15 - name: IC5KETCBO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1510.0, 5000.0] data: - [4.60922258, 0.0463105317, -1.85546802e-05, -2.86158793e-10, 1.27532426e-12, -2.87895902e+04, 7.87701574] - [19.3742496, 0.0206425485, -7.06983683e-06, 1.09902869e-09, -6.38342204e-14, -3.47003768e+04, -74.3848166] note: 17/8/15 - name: IC5KETCDO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1489.0, 5000.0] data: - [7.66113508, 0.0331212888, -2.76253288e-06, -8.32131128e-09, 2.78275744e-12, -2.68823428e+04, -4.11946991] - [17.8986194, 0.0213374499, -7.19313241e-06, 1.10668165e-09, -6.38266549e-14, -3.16063716e+04, -63.3320448] note: 17/8/15 - name: IC5KETDAO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1485.0, 5000.0] data: - [2.77854914, 0.0549042648, -3.12957279e-05, 7.33340136e-09, -3.35699979e-13, -2.28103088e+04, 18.949965] - [19.583565, 0.0202788959, -6.90312559e-06, 1.06869517e-09, -6.18931202e-14, -2.89934666e+04, -72.7514739] note: 17/8/15 - name: IC5KETDBO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1519.0, 5000.0] data: - [5.2102834, 0.0444018385, -1.51327339e-05, -2.59536762e-09, 1.79445594e-12, -2.6463977e+04, 5.32661738] - [20.06692, 0.0202402238, -6.97500713e-06, 1.0890229e-09, -6.34524956e-14, -3.25858999e+04, -78.0517736] note: 17/8/15 - name: IC5KETDCO composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.74667514, 0.0615641942, -4.06488995e-05, 1.31250854e-08, -1.65755406e-12, -2.40252952e+04, 22.6218438] - [20.6749614, 0.0201791491, -7.04935407e-06, 1.11015087e-09, -6.50552099e-14, -3.08738095e+04, -80.0272702] note: 17/8/15 - name: AC5H10OH composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.23496772, 0.0548298602, -2.85379159e-05, 6.14801654e-09, -2.41162327e-13, -1.70643706e+04, 28.4296007] - [16.4350382, 0.024873226, -8.43959366e-06, 1.3032247e-09, -7.53261177e-14, -2.28956938e+04, -55.1681478] note: 17/8/15 - name: BC5H10OH composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [2.16094248, 0.0526897228, -2.56800949e-05, 4.72180512e-09, -1.32098054e-14, -1.93564411e+04, 20.7680728] - [16.9551854, 0.0250397308, -8.62897621e-06, 1.34632322e-09, -7.837702e-14, -2.52556374e+04, -61.2549178] note: 17/8/15 - name: CC5H10OH composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [-1.66278849, 0.0747656913, -6.14804272e-05, 2.69357912e-08, -4.78920793e-12, -1.61297989e+04, 37.5225406] - [17.6376123, 0.0233184854, -7.78464125e-06, 1.18857749e-09, -6.81463457e-14, -2.21964329e+04, -63.8737345] note: 17/8/15 - name: AO2C5H10OH composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [1.20882689, 0.0778602587, -6.16377315e-05, 2.60506873e-08, -4.52025263e-12, -3.66524607e+04, 26.4078764] - [21.9522107, 0.0248781991, -8.44297007e-06, 1.30371698e-09, -7.53469325e-14, -4.34404184e+04, -83.4515565] note: 17/8/15 - name: BO2C5H10OH composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [2.71004906, 0.0728069687, -5.37414655e-05, 2.08815586e-08, -3.34176454e-12, -3.802765e+04, 18.5552934] - [22.8865971, 0.0240778073, -8.16957904e-06, 1.26165301e-09, -7.29326115e-14, -4.48764864e+04, -89.2415513] note: 17/8/15 - name: CO2C5H10OH composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [-0.13959852, 0.083973294, -7.03813054e-05, 3.103275e-08, -5.52297544e-12, -3.42801244e+04, 33.8677944] - [22.2413769, 0.0243138793, -8.17987283e-06, 1.25568258e-09, -7.22730962e-14, -4.13059915e+04, -83.6980772] note: 17/8/15 - name: IC3H5COCH3 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.54292407, 0.05054323, -3.42434122e-05, 1.25252368e-08, -1.95302231e-12, -2.12702785e+04, 19.9855884] - [14.9935813, 0.0197788403, -6.78313207e-06, 1.0548123e-09, -6.12614698e-14, -2.60877929e+04, -52.6202086] note: 9/8/14 - name: IC3H5COCH2 composition: {H: 7, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [1.42097745, 0.0534336638, -4.21903633e-05, 1.76937615e-08, -3.0607529e-12, 691.08298, 19.952206] - [16.2814836, 0.0163492954, -5.64820836e-06, 8.82756224e-10, -5.14522209e-14, -4286.50692, -59.1075528] note: 9/8/14 - name: AC3H4COCH3 composition: {H: 7, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [0.948806278, 0.0517869173, -3.7486762e-05, 1.40294881e-08, -2.14698694e-12, -3105.53556, 22.6479362] - [16.0405803, 0.0162938876, -5.4927504e-06, 8.4544204e-10, -4.87866397e-14, -8309.72832, -58.3003416] note: 9/8/14 - name: NEOC5H12 composition: {H: 12, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1459.0, 5000.0] data: - [0.860482114, 0.0463444251, 2.26557531e-06, -1.91739545e-08, 6.0729152e-12, -2.24020628e+04, 17.823595] - [21.3410465, 0.0232500105, -8.36387815e-06, 1.34306692e-09, -7.97752777e-14, -3.18056043e+04, -100.649903] note: 9/8/14 - name: NEOC5H11 composition: {H: 11, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1375.0, 5000.0] data: - [9.68072098, 7.07718151e-03, 4.53301778e-05, -3.61952123e-08, 8.06654396e-12, 1051.16941, -19.4358274] - [11.7983312, 0.0359579648, -1.44108662e-05, 2.46307665e-09, -1.52118262e-13, -3861.01387, -44.1297337] note: 9/8/14 - name: NEOC5H11O2H composition: {H: 12, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 2019.0, 5000.0] data: - [0.355225748, 0.0691131421, -3.61242956e-05, 6.97537323e-09, -9.54855674e-14, -3.23388889e+04, 26.110934] - [20.1975284, 0.0297380281, -1.09930813e-05, 1.80338361e-09, -1.08851734e-13, -3.95165952e+04, -82.3753662] note: 9/8/14 - name: NEOC5H11O2 composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1682.0, 5000.0] data: - [1.08144664, 0.0633534647, -3.11938784e-05, 4.88883786e-09, 2.48584189e-13, -1.56455031e+04, 23.2475108] - [19.3713105, 0.0282612571, -1.0467011e-05, 1.71917414e-09, -1.03854375e-13, -2.23544131e+04, -77.1662358] note: 9/8/14 - name: NEOC5H11O composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1374.0, 5000.0] data: - [11.1399567, 9.95551445e-03, 4.37547263e-05, -3.60663886e-08, 8.13722634e-12, -1.57739963e+04, -25.4644054] - [14.7920426, 0.0360239861, -1.44548775e-05, 2.47285304e-09, -1.52828569e-13, -2.12880602e+04, -58.6605592] note: 9/8/14 - name: NEOC5H10OOH composition: {H: 11, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1686.0, 5000.0] data: - [0.726388728, 0.0654763558, -3.46433563e-05, 6.82220142e-09, -1.22217205e-13, -7615.22056, 27.7840799] - [19.8216577, 0.0274351153, -1.017638e-05, 1.67311287e-09, -1.01142157e-13, -1.44846637e+04, -76.5499851] note: 9/8/14 - name: NEO-C5H10O composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1465.0, 5000.0] data: - [-5.80125483, 0.0719986445, -4.12060995e-05, 8.52947622e-09, 2.15532151e-14, -1.85918283e+04, 51.3449073] - [18.8696363, 0.0218446364, -7.48656898e-06, 1.1657418e-09, -6.78305009e-14, -2.76538327e+04, -83.3848438] note: 9/8/14 - name: NEOC5H10OOH-O2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 2038.0, 5000.0] data: - [2.12490773, 0.07515481, -4.39349794e-05, 1.09212325e-08, -8.06703541e-13, -2.57458785e+04, 24.716526] - [24.3460937, 0.0284840536, -1.05961421e-05, 1.74545495e-09, -1.05654571e-13, -3.35348323e+04, -95.8566184] note: '914' - name: NEOC5H9Q2 composition: {H: 11, C: 5, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 2050.0, 5000.0] data: - [1.90419491, 0.0768023849, -4.67666506e-05, 1.25175307e-08, -1.11211508e-12, -1.77393477e+04, 27.5076242] - [24.8112747, 0.0276461534, -1.03017544e-05, 1.6988489e-09, -1.02912689e-13, -2.56663214e+04, -96.4118626] note: 9/8/14 - name: NEOC5KET composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.99299705, 0.0663799852, -4.41434233e-05, 1.47656228e-08, -1.97164356e-12, -4.31727732e+04, 23.0090729] - [21.1457411, 0.0234263362, -8.03514708e-06, 1.24990645e-09, -7.26173329e-14, -4.99812693e+04, -80.4502172] note: 9/8/14 - name: NEOC5KETOX composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1677.0, 5000.0] data: - [3.76958673, 0.0484037082, -2.22215659e-05, 2.9825147e-09, 2.9806495e-13, -2.5299397e+04, 12.7918996] - [16.2834087, 0.0247667618, -8.89982283e-06, 1.43325482e-09, -8.54232652e-14, -2.99100005e+04, -56.0198008] note: 9/8/14 - name: NEOC5KEJOL composition: {H: 9, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.30298806, 0.0584132694, -3.81961088e-05, 1.24622441e-08, -1.59437417e-12, -3.28976593e+04, 25.9154966] - [17.8858167, 0.0212423369, -7.21947714e-06, 1.11609095e-09, -6.45625691e-14, -3.87680922e+04, -63.6233643] note: 9/8/14 - name: IC4H6Q2-II composition: {H: 8, C: 4, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [0.216408482, 0.0825572149, -7.64540445e-05, 3.58211787e-08, -6.67718658e-12, -2.05694845e+04, 33.6943223] - [25.0360805, 0.0160230197, -5.70704966e-06, 9.10412038e-10, -5.38294659e-14, -2.84196401e+04, -96.7186452] note: 9/8/14 - name: NEOC5H9O-OOH composition: {H: 10, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1429.0, 5000.0] data: - [-4.33879286, 0.0823095013, -5.24634537e-05, 1.40859094e-08, -1.00626405e-12, -2.87630624e+04, 50.4065995] - [23.4301312, 0.02264738, -7.84730788e-06, 1.22994662e-09, -7.18633905e-14, -3.86378493e+04, -100.093171] note: 9/14 - name: C5H10-1 composition: {H: 10, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-0.165023816, 0.0530727359, -3.10861587e-05, 8.92413402e-09, -9.81619602e-13, -4573.63143, 28.0570113] - [14.3624894, 0.0226076154, -7.70500843e-06, 1.19329968e-09, -6.91126022e-14, -9999.15627, -51.2512094] - name: C5H10-2 composition: {H: 10, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.590528835, 0.0485275113, -2.43231598e-05, 4.86096027e-09, -1.13099201e-13, -5997.77644, 24.1816377] - [13.9425521, 0.0228734997, -7.77800113e-06, 1.20284861e-09, -6.9597214e-14, -1.121657e+04, -49.5379542] note: 9/8/14 - name: C5H81-3 composition: {H: 8, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.54882436, 0.0415042709, -2.1435989e-05, 4.71145517e-09, -2.42142508e-13, 9056.36062, 19.566591] - [12.9945372, 0.0192678312, -6.58966712e-06, 1.02295969e-09, -5.93441369e-14, 4590.40047, -43.5689825] note: 9/8/14 - name: C5H91-3 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-0.468159636, 0.05134726, -3.05648794e-05, 8.82809744e-09, -9.61458255e-13, 1.23781446e+04, 28.3587835] - [13.9593933, 0.020918021, -7.14307074e-06, 1.10781333e-09, -6.4226816e-14, 7026.51017, -50.310361] note: 9/8/14 - name: C5H91-4 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [1.58797615, 0.0401577239, -1.50062687e-05, -3.94608061e-10, 1.02064182e-12, 1.84683983e+04, 23.4273438] - [12.9229725, 0.0210931621, -7.14227112e-06, 1.10137556e-09, -6.35983966e-14, 1.38192408e+04, -40.0293126] note: 9/8/14 - name: C5H91-5 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [0.207676634, 0.0496049077, -3.00621602e-05, 9.19962077e-09, -1.13246061e-12, 2.01251866e+04, 28.5856261] - [13.7334869, 0.0207003006, -7.06962737e-06, 1.09638953e-09, -6.35591113e-14, 1.51176253e+04, -45.079485] note: 9/8/14 - name: C5H92-4 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [0.255028348, 0.0469860501, -2.40447582e-05, 4.89006694e-09, -1.15557679e-13, 1.09775103e+04, 24.622681] - [13.5637956, 0.0211621316, -7.20826071e-06, 1.11611006e-09, -6.46370085e-14, 5822.58629, -48.7323606] note: 9/8/14 - name: C5H92-5 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [0.996363945, 0.0449148898, -2.30951498e-05, 5.01698735e-09, -2.3864647e-13, 1.87161506e+04, 24.5616052] - [13.2988753, 0.0209845923, -7.14999241e-06, 1.10717347e-09, -6.41183619e-14, 1.39270369e+04, -43.2758927] note: 9/8/14 - name: C5H9O1-3 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1379.0, 5000.0] data: - [2.49666166, 0.0520326105, -3.09828268e-05, 9.02567482e-09, -1.04311127e-12, 1547.58549, 17.0868328] - [17.8860333, 0.0204837367, -7.16613461e-06, 1.12948597e-09, -6.62221468e-14, -4331.39568, -67.2851315] note: 9/8/14 - name: C5H9O2-4 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1376.0, 5000.0] data: - [3.38899911, 0.0471704753, -2.40389823e-05, 4.99166621e-09, -2.03242522e-13, 115.232772, 12.5183625] - [17.3707371, 0.0209044827, -7.30723872e-06, 1.15106814e-09, -6.74601377e-14, -5480.20434, -65.0109045] note: 9/8/14 - name: BC5H10 composition: {H: 10, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [0.604882839, 0.0496635256, -2.66571142e-05, 6.47312078e-09, -4.84017883e-13, -8063.12207, 22.3818263] - [14.0426423, 0.0227915348, -7.74902598e-06, 1.19814522e-09, -6.93127003e-14, -1.32160483e+04, -51.4469569] note: 9/8/14 - name: CC5H10 composition: {H: 10, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-0.964397004, 0.0568482691, -3.66324275e-05, 1.23008921e-08, -1.71392531e-12, -5935.02026, 30.2998433] - [14.4242929, 0.0226454984, -7.73646334e-06, 1.19999861e-09, -6.95711276e-14, -1.14981027e+04, -53.0391197] note: 9/8/14 - name: CC5H9-A composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-0.678909715, 0.0537496002, -3.61116825e-05, 1.28563411e-08, -1.92155723e-12, 1.87974429e+04, 31.2403382] - [13.8635892, 0.0206362872, -7.05717373e-06, 1.09539676e-09, -6.35381849e-14, 1.36104251e+04, -47.2507189] - name: CC5H9-B composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-0.69150186, 0.0509804846, -2.96448293e-05, 8.28273022e-09, -8.57575066e-13, 1.07478467e+04, 27.6711552] - [13.5249511, 0.0214363755, -7.35304116e-06, 1.14368637e-09, -6.64363518e-14, 5413.81916, -50.0302394] note: 9/8/14 - name: AC5H9O-C composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [2.04951318, 0.0536584877, -3.3508671e-05, 1.06174235e-08, -1.39224338e-12, -385.112518, 19.1077262] - [17.6789601, 0.0205915073, -7.18764438e-06, 1.13116483e-09, -6.62505034e-14, -6251.46818, -66.2131721] - name: CC5H9O-B composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1377.0, 5000.0] data: - [2.75614808, 0.0520514036, -3.10966938e-05, 8.25895065e-09, -6.59917121e-13, -1351.62741, 14.0990119] - [18.6974377, 0.0184542537, -6.18682537e-06, 9.48850967e-10, -5.4620398e-14, -7158.97769, -72.6540429] note: 9/8/14 - name: AC5H10 composition: {H: 10, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-0.539429136, 0.0544489715, -3.32707895e-05, 1.03047694e-08, -1.28363329e-12, -6539.67251, 29.0349986] - [14.1931279, 0.0226551019, -7.70008627e-06, 1.19031326e-09, -6.88489604e-14, -1.1949101e+04, -51.0688681] - name: AC5H9-A2 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [-0.95404771, 0.0550153471, -3.5830791e-05, 1.16444141e-08, -1.49086833e-12, 1.15959514e+04, 30.8476806] - [15.0019889, 0.0195965428, -6.60205927e-06, 1.01535593e-09, -5.85454957e-14, 5900.81014, -55.4528992] - name: AC5H9-C composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-0.841372657, 0.0527157283, -3.27334707e-05, 1.01974035e-08, -1.2608473e-12, 1.04321036e+04, 29.3316754] - [13.791811, 0.0209644966, -7.13793293e-06, 1.10480881e-09, -6.39628018e-14, 5095.556, -50.1391436] - name: AC5H9-D composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-0.167398152, 0.0509876974, -3.22615638e-05, 1.05911843e-08, -1.43705463e-12, 1.81792947e+04, 29.5710715] - [13.5607521, 0.0207514878, -7.06608626e-06, 1.09362345e-09, -6.3308305e-14, 1.31896844e+04, -44.8718988] - name: B2E2M1OJ composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 2003.0, 5000.0] data: - [5.64762692, 0.0343609862, -5.60649548e-06, -5.19111402e-09, 1.73155461e-12, -6.65737793, 3.13825267] - [13.5666458, 0.0256547934, -9.37226256e-06, 1.52518398e-09, -9.15378763e-14, -3587.67067, -42.7272791] - name: B13DE2M composition: {H: 8, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-0.472170009, 0.0559413257, -4.50458826e-05, 1.96181377e-08, -3.52009647e-12, 7149.60489, 25.6276807] - [14.0757545, 0.0182375566, -6.20747687e-06, 9.60350919e-10, -5.55741525e-14, 2400.33881, -51.2988284] - name: B13DE2MJ composition: {H: 7, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-0.898037227, 0.0565174321, -4.76107829e-05, 2.09672106e-08, -3.73076319e-12, 2.52881763e+04, 27.4966602] - [14.8413344, 0.0152425753, -5.13559858e-06, 7.8978726e-10, -4.55353492e-14, 2.0266157e+04, -55.4474955] - name: B12DE3M composition: {H: 8, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.27860173, 0.0454917474, -2.82334169e-05, 8.98449372e-09, -1.17220042e-12, 1.31637341e+04, 18.7039373] - [13.7093177, 0.0185726726, -6.33115904e-06, 9.80719059e-10, -5.68099894e-14, 8595.18752, -48.8749621] note: 11/12/12THERM - name: B2E3M1OJ composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 2003.0, 5000.0] data: - [5.64762692, 0.0343609862, -5.60649548e-06, -5.19111402e-09, 1.73155461e-12, -6.65737793, 3.13825267] - [13.5666458, 0.0256547934, -9.37226256e-06, 1.52518398e-09, -9.15378763e-14, -3587.67067, -42.7272791] - name: TC4H8CHO composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-0.958078294, 0.0642003258, -4.70776827e-05, 1.75737698e-08, -2.64896151e-12, -6865.82501, 33.3781112] - [17.9663933, 0.0194207117, -6.67409451e-06, 1.03969221e-09, -6.04702651e-14, -1.33368585e+04, -67.9819424] note: 9/7/95THERM - name: O2C4H8CHO composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.91847699, 0.0667245869, -4.80871046e-05, 1.7858869e-08, -2.7116388e-12, -2.49837984e+04, 23.8577867] - [21.2629904, 0.0214072282, -7.38342949e-06, 1.15281523e-09, -6.71508438e-14, -3.16854524e+04, -79.9828703] note: 9/7/95THERM - name: O2HC4H8CO composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [1.82607262, 0.0693466111, -4.9312514e-05, 1.6984834e-08, -2.26117657e-12, -2.46578311e+04, 24.1167544] - [23.821963, 0.0191411448, -6.67919154e-06, 1.05127303e-09, -6.15876805e-14, -3.23093973e+04, -94.2580755] note: 9/7/95THERM - name: PC4H8CHO-1O2 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [-0.463291072, 0.0802504798, -6.47236563e-05, 2.62037194e-08, -4.25127975e-12, -2.34955268e+04, 36.6761324] - [24.6719452, 0.0185504127, -6.4220984e-06, 1.00647312e-09, -5.88171032e-14, -3.18555321e+04, -97.1440808] note: 10/8/15 - name: PC4H8CHO-2O2 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [3.75698588, 0.0599220385, -3.8471137e-05, 1.16653123e-08, -1.26664695e-12, -2.5720712e+04, 16.0217605] - [21.672512, 0.0203883823, -6.8902542e-06, 1.06159257e-09, -6.12789415e-14, -3.20581874e+04, -80.8233009] note: 10/8/15 - name: PC4H8CHO-3O2 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [3.75698588, 0.0599220385, -3.8471137e-05, 1.16653123e-08, -1.26664695e-12, -2.5720712e+04, 16.0217605] - [21.672512, 0.0203883823, -6.8902542e-06, 1.06159257e-09, -6.12789415e-14, -3.20581874e+04, -80.8233009] note: 10/8/15 - name: PC4H8CHO-4O2 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [3.37850952, 0.0577659231, -3.28975023e-05, 7.80995858e-09, -4.14571925e-13, -2.35309122e+04, 19.7380195] - [21.2856144, 0.0212771293, -7.31814716e-06, 1.14082494e-09, -6.6390004e-14, -3.02079416e+04, -78.2029614] note: 10/8/15 - name: C4H7CHO-2 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [3.69688874e-04, 0.0571382743, -4.15287925e-05, 1.58289787e-08, -2.49867087e-12, -1.87655817e+04, 27.5869712] - [16.2588601, 0.0187787531, -6.45805165e-06, 1.00641261e-09, -5.85466414e-14, -2.44023233e+04, -59.6450353] note: 10/8/15THERM - name: C4H7CHO-3 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.414190085, 0.0512150376, -3.0668231e-05, 8.72168876e-09, -9.15725235e-13, -1.5155252e+04, 28.1574532] - [15.5930799, 0.0196344789, -6.81722246e-06, 1.06912344e-09, -6.24665079e-14, -2.08408048e+04, -54.7830431] note: 10/8/15THERM - name: C4H7CHO-4 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 2020.0, 5000.0] data: - [1.15814338, 0.0481746752, -2.67363172e-05, 6.50396537e-09, -4.78416928e-13, -1.47390215e+04, 24.6792248] - [13.7156197, 0.0216425024, -7.67112142e-06, 1.22483309e-09, -7.25906717e-14, -1.91110565e+04, -43.3806662] note: 10/8/15THERM - name: NC3H7COCH3 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.22465879, 0.0482791863, -2.21019858e-05, 2.64029906e-09, 5.23720489e-13, -3.3937906e+04, 19.4495002] - [15.9632618, 0.0226394805, -7.56430418e-06, 1.15632032e-09, -6.63757297e-14, -3.92822369e+04, -56.5033421] note: 10/6/15THERM - name: C2H5COC2H5 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [3.04335984, 0.0424811577, -1.12087588e-05, -5.05051822e-09, 2.35367193e-12, -3.40615638e+04, 14.8305047] - [16.5155931, 0.0218966306, -7.26184066e-06, 1.1053753e-09, -6.32910022e-14, -3.96722497e+04, -61.1243728] note: 10/6/15THERM - name: NC3H7COCH2 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [2.14964962, 0.0509715972, -2.97744827e-05, 7.64275255e-09, -5.47753503e-13, -1.19838512e+04, 19.1969246] - [17.2611127, 0.0191828746, -6.41680319e-06, 9.82027213e-10, -5.64270287e-14, -1.74829806e+04, -63.0397964] note: 10/6/15THERM - name: CH3CH2CHCOCH3 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [3.62180151, 0.0378869197, -9.52099354e-06, -4.70140858e-09, 2.11456934e-12, -1.46643385e+04, 16.3246571] - [15.3040392, 0.0203924168, -6.74389287e-06, 1.02444156e-09, -5.85693457e-14, -1.9576501e+04, -49.6835091] note: 10/6/15 - name: CH3CHCH2COCH3 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1313.0, 5000.0] data: - [3.82775077, 0.0359153332, -6.78571299e-06, -6.24819689e-09, 2.43917244e-12, -1.08496104e+04, 15.5399306] - [14.5647685, 0.0210276788, -6.95711397e-06, 1.05654321e-09, -6.03737583e-14, -1.54618001e+04, -45.5117654] note: 10/6/15 - name: CH2CH2CH2COCH3 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 2010.0, 5000.0] data: - [2.03928898, 0.0476715898, -2.60373643e-05, 6.44110554e-09, -5.11322699e-13, -9142.4304, 22.5010591] - [13.6121876, 0.0229083157, -7.89568575e-06, 1.23743112e-09, -7.24018569e-14, -1.31339181e+04, -40.0994585] note: 10/6/15 - name: CH2CH2COC2H5 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [3.36988365, 0.0393333507, -1.08692381e-05, -4.28049004e-09, 2.08635748e-12, -9337.94632, 16.2475992] - [15.8030158, 0.0200450814, -6.6410202e-06, 1.01015297e-09, -5.78091691e-14, -1.44839773e+04, -53.7408145] note: 10/6/15 - name: CH3CHCOC2H5 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [4.2615043, 0.0332446421, -1.19632509e-06, -1.01813061e-08, 3.34232716e-12, -1.47673892e+04, 13.1662371] - [15.2590939, 0.0206874083, -6.90185396e-06, 1.05491074e-09, -6.05775562e-14, -1.97701234e+04, -50.340445] note: 10/6/15 - name: NC52ONEO2-3 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [0.367212944, 0.0761782682, -6.13904833e-05, 2.51922695e-08, -4.15673555e-12, -2.7349075e+04, 32.8428407] - [23.238489, 0.0191383699, -6.48795686e-06, 1.00265179e-09, -5.80286197e-14, -3.48643643e+04, -88.6014914] note: 10/8/15 - name: NC52ONEO2-4 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1419.0, 5000.0] data: - [4.46745059, 0.0562677767, -3.55388942e-05, 1.07130185e-08, -1.15039744e-12, -2.9553632e+04, 12.7650471] - [20.5185681, 0.0204863743, -6.73858014e-06, 1.01931995e-09, -5.80865415e-14, -3.51672453e+04, -73.8258122] note: 10/8/15 - name: NC52ONEO2-5 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [4.08984713, 0.0540452788, -2.97970958e-05, 6.76825508e-09, -2.84375003e-13, -2.73624576e+04, 16.4944454] - [20.057697, 0.0215456046, -7.24499615e-06, 1.11255956e-09, -6.40750213e-14, -3.33006712e+04, -70.8203167] note: 10/8/15 - name: NC53ONEO2-1 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1472.0, 5000.0] data: - [4.517234, 0.0463561824, -1.26143575e-05, -5.62683827e-09, 2.63012314e-12, -2.73321757e+04, 15.1181731] - [20.8297563, 0.0214528808, -7.34744816e-06, 1.14331164e-09, -6.64861408e-14, -3.41829302e+04, -76.952685] note: 10/8/15 - name: NC53ONEO2-2 composition: {H: 9, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [1.18594239, 0.0706410637, -5.13727958e-05, 1.83400895e-08, -2.55856018e-12, -2.74781465e+04, 28.867364] - [23.3146573, 0.0191100357, -6.48744531e-06, 1.00363367e-09, -5.81318155e-14, -3.50527575e+04, -89.8266438] note: 10/8/15 - name: NC52ONE-3 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.818407003, 0.0517195551, -3.4785225e-05, 1.26179448e-08, -1.96289033e-12, -2.15095891e+04, 24.4001463] - [14.8312595, 0.0201259287, -6.94970483e-06, 1.08573546e-09, -6.32625551e-14, -2.65938915e+04, -51.4361841] note: 10/8/15THERM - name: NC52ONE-4 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [0.246588134, 0.0527913864, -3.58755256e-05, 1.29117478e-08, -1.9428539e-12, -1.75679347e+04, 29.3219925] - [14.5047399, 0.019995472, -6.8151948e-06, 1.05547414e-09, -6.11274397e-14, -2.26071842e+04, -47.4948237] note: 10/8/15THERM - name: NC53ONE-1 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.0684551, 0.0497050279, -2.97718118e-05, 8.51066096e-09, -8.95411427e-13, -2.02580056e+04, 23.4730078] - [15.4699471, 0.0194419026, -6.6848715e-06, 1.04158457e-09, -6.05841804e-14, -2.56037925e+04, -55.0815753] note: 10/8/15THERM - name: NC5H11OH composition: {H: 12, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [-0.740082992, 0.0683880275, -4.47177434e-05, 1.49115071e-08, -1.99981896e-12, -3.82501077e+04, 34.1515985] - [18.1326422, 0.0258734469, -8.7614751e-06, 1.35108218e-09, -7.80169568e-14, -4.49393846e+04, -67.7258765] note: 10/7/15THERM - name: C5H10OH11 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [0.426049537, 0.0631258286, -4.15122762e-05, 1.38895665e-08, -1.8673201e-12, -1.67596661e+04, 29.2144309] - [18.0953018, 0.0233361161, -7.88463541e-06, 1.21428332e-09, -7.00616136e-14, -2.30206675e+04, -66.1675776] note: 10/7/15THERM - name: C5H10OH12 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [1.84753679, 0.057308684, -3.47271444e-05, 1.0651614e-08, -1.30777652e-12, -1.47995754e+04, 24.0150308] - [17.1780951, 0.0242601001, -8.22986526e-06, 1.27049816e-09, -7.34155598e-14, -2.04290445e+04, -59.347229] note: 10/7/15THERM - name: C5H10OH13 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.54116771, 0.0566862244, -2.94678472e-05, 5.84904634e-09, -3.31866473e-14, -1.50943752e+04, 31.8827466] - [16.8143234, 0.0244876194, -8.29372543e-06, 1.27921101e-09, -7.38804613e-14, -2.12567818e+04, -57.4573295] note: 10/7/15THERM - name: C5H10OH14 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.54116771, 0.0566862244, -2.94678472e-05, 5.84904634e-09, -3.31866473e-14, -1.50943752e+04, 31.8827466] - [16.8143234, 0.0244876194, -8.29372543e-06, 1.27921101e-09, -7.38804613e-14, -2.12567818e+04, -57.4573295] note: 10/7/15THERM - name: C5H10OH15 composition: {H: 11, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [-0.394307021, 0.0650012333, -4.38043364e-05, 1.52539819e-08, -2.16516288e-12, -1.35258816e+04, 34.8138101] - [17.4868543, 0.0239842944, -8.13298324e-06, 1.25529418e-09, -7.25301446e-14, -1.97969015e+04, -61.461234] note: 10/7/15THERM - name: C5H10OH-1O2 composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.8726656, 0.073512079, -5.19769726e-05, 1.89528387e-08, -2.82611232e-12, -3.616055e+04, 23.99485] - [22.9458771, 0.0245179524, -8.42764796e-06, 1.31282727e-09, -7.63477543e-14, -4.34982351e+04, -89.2569973] note: 10/8/15 - name: C5H10OH-2O2 composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [1.54218231, 0.0757844091, -5.63028041e-05, 2.163746e-08, -3.37143496e-12, -3.38651232e+04, 27.3478003] - [22.8162462, 0.0240750309, -8.15387271e-06, 1.25759554e-09, -7.26292545e-14, -4.09893865e+04, -86.0865796] note: 10/8/15 - name: C5H10OH-3O2 composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [1.54218231, 0.0757844091, -5.63028041e-05, 2.163746e-08, -3.37143496e-12, -3.38651232e+04, 27.3478003] - [22.8162462, 0.0240750309, -8.15387271e-06, 1.25759554e-09, -7.26292545e-14, -4.09893865e+04, -86.0865796] note: 10/8/15 - name: C5H10OH-4O2 composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1406.0, 5000.0] data: - [1.54218231, 0.0757844091, -5.63028041e-05, 2.163746e-08, -3.37143496e-12, -3.38651232e+04, 27.3478003] - [22.8162462, 0.0240750309, -8.15387271e-06, 1.25759554e-09, -7.26292545e-14, -4.09893865e+04, -86.0865796] note: 10/8/15 - name: C5H10OH-5O2 composition: {H: 11, C: 5, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [1.13788816, 0.0741287041, -5.25165329e-05, 1.92381362e-08, -2.87963457e-12, -3.16767835e+04, 31.1292521] - [22.1449702, 0.0249621926, -8.52928879e-06, 1.3233661e-09, -7.67473293e-14, -3.894676e+04, -81.6310639] note: 10/8/15 - name: C5H9OH1-1 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [-0.752968139, 0.0684304063, -5.40649298e-05, 2.26640783e-08, -3.88274568e-12, -2.60259987e+04, 31.0300945] - [17.5799784, 0.0215510873, -7.24423039e-06, 1.11154167e-09, -6.39602647e-14, -3.19843372e+04, -65.9853552] note: 10/8/15 - name: C5H9OH1-2 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1375.0, 5000.0] data: - [1.713049, 0.0505617859, -2.46539338e-05, 4.87081503e-09, -1.8922096e-13, -2.39589376e+04, 23.127785] - [16.2865282, 0.0240392163, -8.40885938e-06, 1.32515728e-09, -7.76837502e-14, -2.99434873e+04, -58.0985901] note: 10/8/15 - name: C5H9OH1-3 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [0.188732713, 0.0571777712, -3.44214841e-05, 9.99837019e-09, -1.07315871e-12, -2.43560647e+04, 29.9036243] - [16.2749224, 0.022798439, -7.70751766e-06, 1.18747528e-09, -6.85336287e-14, -3.02380128e+04, -57.5828357] note: 10/8/15 - name: C5H9OH1-4 composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.542247537, 0.0616234351, -4.10470356e-05, 1.39787947e-08, -1.92326047e-12, -2.29560111e+04, 33.6582311] - [16.6790471, 0.0225496587, -7.64069183e-06, 1.17887585e-09, -6.81025445e-14, -2.90316501e+04, -59.2057123] note: 10/8/15 - name: NC6H14 composition: {H: 14, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-0.606787842, 0.0723956364, -4.33845424e-05, 1.28945357e-08, -1.49361322e-12, -2.28192378e+04, 30.7154747] - [19.1649837, 0.0302733796, -1.03172746e-05, 1.59774518e-09, -9.25291178e-14, -3.01230801e+04, -76.9633109] - name: C6H13-1 composition: {H: 13, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-0.21221303, 0.068775603, -4.21067325e-05, 1.3006109e-08, -1.60770046e-12, 1898.0184, 31.8494469] - [18.5287088, 0.0283718554, -9.68391797e-06, 1.50116241e-09, -8.69954114e-14, -4986.06882, -70.0604665] - name: C6H13-2 composition: {H: 13, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.620068248, 0.0616195063, -2.96980348e-05, 4.69998266e-09, 3.13755723e-13, 323.741699, 29.2321681] - [18.0640936, 0.0285111833, -9.67861302e-06, 1.49502045e-09, -8.6430371e-14, -6454.33301, -67.0878929] - name: C6H13-3 composition: {H: 13, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.620068248, 0.0616195063, -2.96980348e-05, 4.69998266e-09, 3.13755723e-13, 323.741699, 29.2321681] - [18.0640936, 0.0285111833, -9.67861302e-06, 1.49502045e-09, -8.6430371e-14, -6454.33301, -67.0878929] - name: C6H13OOH-1 composition: {H: 14, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.376304221, 0.0842019657, -5.55911124e-05, 1.8631929e-08, -2.52819359e-12, -3.2905985e+04, 32.1031523] - [24.5163599, 0.0304358125, -1.04768961e-05, 1.63358168e-09, -9.50618695e-14, -4.15677013e+04, -98.5011918] - name: C6H13OOH-2 composition: {H: 14, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.733867061, 0.0864149041, -6.11174825e-05, 2.24268392e-08, -3.36429856e-12, -3.50923807e+04, 28.4824773] - [24.8832119, 0.0296512073, -1.01015279e-05, 1.56407586e-09, -9.05729002e-14, -4.34204125e+04, -101.048943] - name: C6H13OOH-3 composition: {H: 14, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.733867061, 0.0864149041, -6.11174825e-05, 2.24268392e-08, -3.36429856e-12, -3.50923807e+04, 28.4824773] - [24.8832119, 0.0296512073, -1.01015279e-05, 1.56407586e-09, -9.05729002e-14, -4.34204125e+04, -101.048943] - name: C6H13O2-1 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [1.05761492, 0.0789345805, -5.23116185e-05, 1.7954818e-08, -2.54740591e-12, -1.6209118e+04, 29.4104766] - [23.178544, 0.029425521, -1.0121819e-05, 1.57735564e-09, -9.17519123e-14, -2.41616714e+04, -90.2503944] - name: C6H13O2-2 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.59315499, 0.0803858598, -5.68690473e-05, 2.12270568e-08, -3.27992517e-12, -1.84223008e+04, 24.9641944] - [23.4641557, 0.0287030846, -9.76607754e-06, 1.51070014e-09, -8.74195382e-14, -2.59745219e+04, -92.311524] - name: C6H13O2-3 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.59315499, 0.0803858598, -5.68690473e-05, 2.12270568e-08, -3.27992517e-12, -1.84223008e+04, 24.9641944] - [23.4641557, 0.0287030846, -9.76607754e-06, 1.51070014e-09, -8.74195382e-14, -2.59745219e+04, -92.311524] - name: C6H13O-1 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.37476919, 0.0709707741, -4.1106103e-05, 1.06839948e-08, -8.50881624e-13, -1.49531106e+04, 25.2025044] - [22.0928922, 0.0279119481, -9.53349733e-06, 1.47885354e-09, -8.57536878e-14, -2.26216369e+04, -87.8582845] - name: C6H13O-2 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.53124348, 0.0723874176, -4.5463289e-05, 1.39938106e-08, -1.63272186e-12, -1.70585882e+04, 23.0983559] - [21.8292052, 0.0277008387, -9.36457645e-06, 1.44248495e-09, -8.32314882e-14, -2.43135941e+04, -86.7680797] - name: C6H13O-3 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.53124348, 0.0723874176, -4.5463289e-05, 1.39938106e-08, -1.63272186e-12, -1.70585882e+04, 23.0983559] - [21.8292052, 0.0277008387, -9.36457645e-06, 1.44248495e-09, -8.32314882e-14, -2.43135941e+04, -86.7680797] - name: C6H12OOH1-2 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [2.35234877, 0.0742464378, -4.64307066e-05, 1.44953455e-08, -1.79518968e-12, -9799.13038, 24.9856776] - [23.395897, 0.0287500915, -9.87479228e-06, 1.53738184e-09, -8.93686071e-14, -1.75002122e+04, -89.3745541] - name: C6H12OOH1-3 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.92496561, 0.0724529009, -4.2077971e-05, 1.11647255e-08, -9.59696372e-13, -9815.50072, 28.3886795] - [22.7895146, 0.0289701974, -9.88728294e-06, 1.53286753e-09, -8.88486536e-14, -1.75428625e+04, -85.4563755] - name: C6H12OOH1-4 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.92496561, 0.0724529009, -4.2077971e-05, 1.11647255e-08, -9.59696372e-13, -9815.50072, 28.3886795] - [22.7895146, 0.0289701974, -9.88728294e-06, 1.53286753e-09, -8.88486536e-14, -1.75428625e+04, -85.4563755] - name: C6H12OOH1-5 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.92496561, 0.0724529009, -4.2077971e-05, 1.11647255e-08, -9.59696372e-13, -9815.50072, 28.3886795] - [22.7895146, 0.0289701974, -9.88728294e-06, 1.53286753e-09, -8.88486536e-14, -1.75428625e+04, -85.4563755] - name: C6H12OOH2-1 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.63351733, 0.081479674, -5.79995011e-05, 2.13418964e-08, -3.19994195e-12, -1.05064447e+04, 26.4803283] - [24.5762848, 0.0274155943, -9.3419275e-06, 1.44672243e-09, -8.37892149e-14, -1.83935404e+04, -96.5123105] - name: C6H12OOH2-3 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.72663117, 0.0764651999, -5.21833045e-05, 1.85187539e-08, -2.69369864e-12, -1.19891933e+04, 21.2761646] - [23.6864065, 0.028011599, -9.51112192e-06, 1.46925773e-09, -8.49419123e-14, -1.93109406e+04, -91.4557581] - name: C6H12OOH2-4 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.2600759, 0.0748358213, -4.80375241e-05, 1.52775741e-08, -1.87091068e-12, -1.19995231e+04, 24.861843] - [23.1606108, 0.0280956105, -9.46369942e-06, 1.45419355e-09, -8.37638675e-14, -1.93834354e+04, -87.9850394] - name: C6H12OOH2-5 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.2600759, 0.0748358213, -4.80375241e-05, 1.52775741e-08, -1.87091068e-12, -1.19995231e+04, 24.861843] - [23.1606108, 0.0280956105, -9.46369942e-06, 1.45419355e-09, -8.37638675e-14, -1.93834354e+04, -87.9850394] - name: C6H12OOH2-6 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.09455724, 0.0829967617, -6.01254476e-05, 2.26497954e-08, -3.48706819e-12, -1.03716865e+04, 29.07157] - [24.303907, 0.0276074809, -9.39913372e-06, 1.45469578e-09, -8.42141472e-14, -1.82854496e+04, -95.1106853] - name: C6H12OOH3-1 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.09455724, 0.0829967617, -6.01254476e-05, 2.26497954e-08, -3.48706819e-12, -1.03716865e+04, 29.07157] - [24.303907, 0.0276074809, -9.39913372e-06, 1.45469578e-09, -8.42141472e-14, -1.82854496e+04, -95.1106853] - name: C6H12OOH3-2 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.72663117, 0.0764651999, -5.21833045e-05, 1.85187539e-08, -2.69369864e-12, -1.19891933e+04, 21.2761646] - [23.6864065, 0.028011599, -9.51112192e-06, 1.46925773e-09, -8.49419123e-14, -1.93109406e+04, -91.4557581] - name: C6H12OOH3-4 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.72663117, 0.0764651999, -5.21833045e-05, 1.85187539e-08, -2.69369864e-12, -1.19891933e+04, 21.2761646] - [23.6864065, 0.028011599, -9.51112192e-06, 1.46925773e-09, -8.49419123e-14, -1.93109406e+04, -91.4557581] - name: C6H12OOH3-5 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.2600759, 0.0748358213, -4.80375241e-05, 1.52775741e-08, -1.87091068e-12, -1.19995231e+04, 24.861843] - [23.1606108, 0.0280956105, -9.46369942e-06, 1.45419355e-09, -8.37638675e-14, -1.93834354e+04, -87.9850394] - name: C6H12OOH3-6 composition: {H: 13, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.09455724, 0.0829967617, -6.01254476e-05, 2.26497954e-08, -3.48706819e-12, -1.03716865e+04, 29.07157] - [24.303907, 0.0276074809, -9.39913372e-06, 1.45469578e-09, -8.42141472e-14, -1.82854496e+04, -95.1106853] - name: C6H12O1-2 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-5.27479473, 0.091583263, -7.0919499e-05, 2.7946161e-08, -4.39482049e-12, -2.05857903e+04, 53.4224762] - [20.9805167, 0.0261456832, -8.79805046e-06, 1.35121022e-09, -7.78107305e-14, -2.91366825e+04, -85.8639749] - name: C6H12O1-3 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1412.0, 5000.0] data: - [-8.93042069, 0.102982605, -8.53638224e-05, 3.63896486e-08, -6.21235185e-12, -2.07664357e+04, 70.1497676] - [19.971263, 0.027573913, -9.32003684e-06, 1.43550676e-09, -8.28258579e-14, -2.99062932e+04, -82.0867887] - name: C6H12O1-4 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1451.0, 5000.0] data: - [-8.1243538, 0.0970640114, -7.69405734e-05, 3.10474493e-08, -4.95396033e-12, -3.08886808e+04, 65.9704356] - [18.7967925, 0.0275535527, -9.00773471e-06, 1.35601108e-09, -7.69845934e-14, -3.93246166e+04, -75.8383918] - name: C6H12O1-5 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-11.3294962, 0.108590522, -8.83887484e-05, 3.67290337e-08, -6.10865223e-12, -3.24988594e+04, 76.5557826] - [19.9284959, 0.028696741, -9.76084126e-06, 1.50996782e-09, -8.73930262e-14, -4.25348728e+04, -88.6574195] - name: C6H12O2-3 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-5.25994961, 0.0941384839, -7.60798059e-05, 3.1281471e-08, -5.11045005e-12, -2.26926336e+04, 51.8211467] - [21.4267419, 0.0253570884, -8.4389421e-06, 1.28635266e-09, -7.36861092e-14, -3.11276934e+04, -88.8992853] - name: C6H12O2-4 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-8.71729383, 0.104644598, -8.94323784e-05, 3.91535754e-08, -6.81619305e-12, -2.29012647e+04, 67.6413269] - [20.2636052, 0.0268979324, -8.9945795e-06, 1.3752709e-09, -7.89420963e-14, -3.18212913e+04, -84.2025816] - name: C6H12O2-5 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-10.7496328, 0.108968762, -9.26948775e-05, 4.02824223e-08, -6.95618656e-12, -3.25413826e+04, 76.355714] - [19.6691261, 0.0277995312, -9.30042882e-06, 1.42255648e-09, -8.16795227e-14, -4.19335698e+04, -83.1528662] - name: C6H12O3-4 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-5.25994961, 0.0941384839, -7.60798059e-05, 3.1281471e-08, -5.11045005e-12, -2.26926336e+04, 51.1316651] - [21.4267419, 0.0253570884, -8.4389421e-06, 1.28635266e-09, -7.36861092e-14, -3.11276934e+04, -89.5887669] - name: C6H12OOH1-2O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH1-3O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH1-4O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH1-5O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH2-1O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH2-3O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.53306668, 0.0921554288, -6.98231363e-05, 2.75462625e-08, -4.42827896e-12, -3.05121822e+04, 24.1208096] - [28.3590321, 0.0287735842, -9.78879765e-06, 1.51428335e-09, -8.76360651e-14, -3.91336282e+04, -113.425601] - name: C6H12OOH2-4O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.53306668, 0.0921554288, -6.98231363e-05, 2.75462625e-08, -4.42827896e-12, -3.05121822e+04, 24.1208096] - [28.3590321, 0.0287735842, -9.78879765e-06, 1.51428335e-09, -8.76360651e-14, -3.91336282e+04, -113.425601] - name: C6H12OOH2-5O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.53306668, 0.0921554288, -6.98231363e-05, 2.75462625e-08, -4.42827896e-12, -3.05121822e+04, 24.1208096] - [28.3590321, 0.0287735842, -9.78879765e-06, 1.51428335e-09, -8.76360651e-14, -3.91336282e+04, -113.425601] - name: C6H12OOH2-6O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH3-1O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H12OOH3-2O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.53306668, 0.0921554288, -6.98231363e-05, 2.75462625e-08, -4.42827896e-12, -3.05121822e+04, 24.1208096] - [28.3590321, 0.0287735842, -9.78879765e-06, 1.51428335e-09, -8.76360651e-14, -3.91336282e+04, -113.425601] - name: C6H12OOH3-4O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.53306668, 0.0921554288, -6.98231363e-05, 2.75462625e-08, -4.42827896e-12, -3.05121822e+04, 24.1208096] - [28.3590321, 0.0287735842, -9.78879765e-06, 1.51428335e-09, -8.76360651e-14, -3.91336282e+04, -113.425601] - name: C6H12OOH3-5O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.53306668, 0.0921554288, -6.98231363e-05, 2.75462625e-08, -4.42827896e-12, -3.05121822e+04, 24.1208096] - [28.3590321, 0.0287735842, -9.78879765e-06, 1.51428335e-09, -8.76360651e-14, -3.91336282e+04, -113.425601] - name: C6H12OOH3-6O2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.62680845, 0.0894856642, -5.98279275e-05, 1.91011928e-08, -2.2852899e-12, -2.84709479e+04, 25.1462108] - [30.4683025, 0.0277522708, -9.61137583e-06, 1.50516303e-09, -8.78680262e-14, -3.83461529e+04, -125.345284] - name: C6H11-1D3OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-2.31977696, 0.0952241599, -7.73053497e-05, 3.20512066e-08, -5.34750057e-12, -1.76191545e+04, 42.2269905] - [25.9035094, 0.0242696112, -8.29035467e-06, 1.28689728e-09, -7.46830616e-14, -2.68476823e+04, -107.452182] - name: C6H11-1D4OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.13416759, 0.079419316, -5.85260848e-05, 2.26979408e-08, -3.62009744e-12, -1.98209376e+04, 26.9474429] - [22.9270511, 0.0266225664, -9.05133554e-06, 1.39947254e-09, -8.09578355e-14, -2.7194884e+04, -89.4129595] - name: C6H11-1D5OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [1.13416759, 0.079419316, -5.85260848e-05, 2.26979408e-08, -3.62009744e-12, -1.98209376e+04, 26.9474429] - [22.9270511, 0.0266225664, -9.05133554e-06, 1.39947254e-09, -8.09578355e-14, -2.7194884e+04, -89.4129595] - name: C6H11-1D6OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.648701799, 0.0776335542, -5.34143826e-05, 1.90936716e-08, -2.82021629e-12, -1.76120903e+04, 31.1812799] - [22.6383519, 0.0273757543, -9.42397309e-06, 1.46942591e-09, -8.55091451e-14, -2.53967947e+04, -87.3725472] - name: C6H11-2D1OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.211692928, 0.0823288253, -5.97664416e-05, 2.25592257e-08, -3.51959321e-12, -1.72986603e+04, 33.1182384] - [24.3428219, 0.0260142938, -8.97949936e-06, 1.40314527e-09, -8.17901261e-14, -2.5726786e+04, -96.5749831] - name: C6H11-2D4OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-1.46245581, 0.090293842, -7.01570906e-05, 2.78745585e-08, -4.47562215e-12, -1.90395758e+04, 37.8704689] - [25.3272397, 0.0247729296, -8.46596932e-06, 1.31443483e-09, -7.6289028e-14, -2.79852809e+04, -104.859678] - name: C6H11-2D5OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.81623661, 0.0752045876, -5.22511183e-05, 1.89442291e-08, -2.82183511e-12, -2.12139988e+04, 23.4113083] - [22.5048513, 0.0269114345, -9.1365412e-06, 1.41134534e-09, -8.15937722e-14, -2.83951897e+04, -87.6985785] - name: C6H11-2D6OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [1.51940041, 0.0726401571, -4.60784955e-05, 1.47295637e-08, -1.89409854e-12, -1.90350093e+04, 26.7655882] - [22.1518946, 0.0277388788, -9.53838077e-06, 1.48617108e-09, -8.64396575e-14, -2.65647544e+04, -85.2712241] - name: C6H11-3D1OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [1.1700693, 0.0727400593, -4.57945723e-05, 1.44941072e-08, -1.84089055e-12, -1.89021358e+04, 28.6651787] - [21.8169743, 0.0280152259, -9.63205183e-06, 1.50063123e-09, -8.72754508e-14, -2.64614918e+04, -83.5297001] - name: C6H11-3D2OOH composition: {H: 12, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-1.7972552, 0.0902776158, -6.96160763e-05, 2.74275414e-08, -4.3671632e-12, -1.89077528e+04, 39.7122202] - [25.0642842, 0.0249351789, -8.51039657e-06, 1.32031801e-09, -7.6593614e-14, -2.79114429e+04, -103.524314] - name: C6H11Q12-3 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q12-4 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.80954684, 0.0847207481, -5.85351924e-05, 2.03764845e-08, -2.81456479e-12, -2.2183615e+04, 22.8354127] - [28.058138, 0.0285464861, -9.69832158e-06, 1.49895066e-09, -8.66960196e-14, -3.05545861e+04, -107.396273] - name: C6H11Q12-5 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.80954684, 0.0847207481, -5.85351924e-05, 2.03764845e-08, -2.81456479e-12, -2.2183615e+04, 22.8354127] - [28.058138, 0.0285464861, -9.69832158e-06, 1.49895066e-09, -8.66960196e-14, -3.05545861e+04, -107.396273] - name: C6H11Q12-6 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.20320858, 0.0920185664, -6.38825199e-05, 2.14499236e-08, -2.7627195e-12, -2.04338777e+04, 29.5618135] - [30.9468859, 0.0269623754, -9.3484394e-06, 1.46514666e-09, -8.55805589e-14, -3.04867475e+04, -125.320374] - name: C6H11Q13-2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q13-4 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q13-5 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.80954684, 0.0847207481, -5.85351924e-05, 2.03764845e-08, -2.81456479e-12, -2.2183615e+04, 22.8354127] - [28.058138, 0.0285464861, -9.69832158e-06, 1.49895066e-09, -8.66960196e-14, -3.05545861e+04, -107.396273] - name: C6H11Q13-6 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.20320858, 0.0920185664, -6.38825199e-05, 2.14499236e-08, -2.7627195e-12, -2.04338777e+04, 29.5618135] - [30.9468859, 0.0269623754, -9.3484394e-06, 1.46514666e-09, -8.55805589e-14, -3.04867475e+04, -125.320374] - name: C6H11Q14-2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q14-3 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q14-5 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q14-6 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.20320858, 0.0920185664, -6.38825199e-05, 2.14499236e-08, -2.7627195e-12, -2.04338777e+04, 29.5618135] - [30.9468859, 0.0269623754, -9.3484394e-06, 1.46514666e-09, -8.55805589e-14, -3.04867475e+04, -125.320374] - name: C6H11Q15-2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q15-3 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.80954684, 0.0847207481, -5.85351924e-05, 2.03764845e-08, -2.81456479e-12, -2.2183615e+04, 22.8354127] - [28.058138, 0.0285464861, -9.69832158e-06, 1.49895066e-09, -8.66960196e-14, -3.05545861e+04, -107.396273] - name: C6H11Q15-4 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.99684347, 0.086093856, -5.92978062e-05, 2.0871963e-08, -2.9887624e-12, -2.18052539e+04, 26.4874463] - [27.8943291, 0.0292847808, -1.00847792e-05, 1.57294057e-09, -9.15554523e-14, -3.05839622e+04, -107.701979] - name: C6H11Q15-6 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.12435546, 0.090809115, -6.62026612e-05, 2.4955967e-08, -3.84884889e-12, -2.03676921e+04, 30.5566985] - [28.2883945, 0.0289369583, -9.96190727e-06, 1.55346138e-09, -9.0409159e-14, -2.93711746e+04, -109.680591] - name: C6H11Q23-1 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.50274303, 0.0923699697, -7.01978035e-05, 2.76525328e-08, -4.43054874e-12, -2.25427916e+04, 26.9579667] - [28.7206101, 0.0281926003, -9.62199118e-06, 1.49176614e-09, -8.64680578e-14, -3.1308562e+04, -112.72988] - name: C6H11Q23-4 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.37103808, 0.0876299651, -6.32127378e-05, 2.35062741e-08, -3.55550322e-12, -2.3978596e+04, 22.9119049] - [28.3307086, 0.0285436428, -9.74746596e-06, 1.51180692e-09, -8.76533346e-14, -3.25271405e+04, -110.789659] - name: C6H11Q23-5 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [4.0127743, 0.0875230514, -6.49830548e-05, 2.47375697e-08, -3.77261053e-12, -2.4343111e+04, 19.9545556] - [28.4438571, 0.0276525438, -9.26702496e-06, 1.41900244e-09, -8.15353368e-14, -3.24103661e+04, -110.029025] - name: C6H11Q23-6 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.0730029, 0.0943156884, -7.3219161e-05, 2.95085081e-08, -4.82851589e-12, -2.24527685e+04, 28.8342959] - [28.6807869, 0.0281353066, -9.58211151e-06, 1.48344887e-09, -8.58991774e-14, -3.1239703e+04, -112.551544] - name: C6H11Q24-1 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.50274303, 0.0923699697, -7.01978035e-05, 2.76525328e-08, -4.43054874e-12, -2.25427916e+04, 26.9579667] - [28.7206101, 0.0281926003, -9.62199118e-06, 1.49176614e-09, -8.64680578e-14, -3.1308562e+04, -112.72988] - name: C6H11Q24-3 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.37103808, 0.0876299651, -6.32127378e-05, 2.35062741e-08, -3.55550322e-12, -2.3978596e+04, 22.9119049] - [28.3307086, 0.0285436428, -9.74746596e-06, 1.51180692e-09, -8.76533346e-14, -3.25271405e+04, -110.789659] - name: C6H11Q24-5 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.37103808, 0.0876299651, -6.32127378e-05, 2.35062741e-08, -3.55550322e-12, -2.3978596e+04, 22.9119049] - [28.3307086, 0.0285436428, -9.74746596e-06, 1.51180692e-09, -8.76533346e-14, -3.25271405e+04, -110.789659] - name: C6H11Q24-6 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.0730029, 0.0943156884, -7.3219161e-05, 2.95085081e-08, -4.82851589e-12, -2.24527685e+04, 28.8342959] - [28.6807869, 0.0281353066, -9.58211151e-06, 1.48344887e-09, -8.58991774e-14, -3.1239703e+04, -112.551544] - name: C6H11Q25-1 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.50274303, 0.0923699697, -7.01978035e-05, 2.76525328e-08, -4.43054874e-12, -2.25427916e+04, 26.9579667] - [28.7206101, 0.0281926003, -9.62199118e-06, 1.49176614e-09, -8.64680578e-14, -3.1308562e+04, -112.72988] - name: C6H11Q25-3 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.37103808, 0.0876299651, -6.32127378e-05, 2.35062741e-08, -3.55550322e-12, -2.3978596e+04, 22.9119049] - [28.3307086, 0.0285436428, -9.74746596e-06, 1.51180692e-09, -8.76533346e-14, -3.25271405e+04, -110.789659] - name: C6H11Q34-1 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.0730029, 0.0943156884, -7.3219161e-05, 2.95085081e-08, -4.82851589e-12, -2.24527685e+04, 28.8342959] - [28.6807869, 0.0281353066, -9.58211151e-06, 1.48344887e-09, -8.58991774e-14, -3.1239703e+04, -112.551544] - name: C6H11Q34-2 composition: {H: 13, C: 6, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [3.37103808, 0.0876299651, -6.32127378e-05, 2.35062741e-08, -3.55550322e-12, -2.3978596e+04, 22.9119049] - [28.3307086, 0.0285436428, -9.74746596e-06, 1.51180692e-09, -8.76533346e-14, -3.25271405e+04, -110.789659] - name: C6KET12 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-1.70742664, 0.0997939251, -8.01901862e-05, 3.2534644e-08, -5.30122784e-12, -4.30784665e+04, 43.6695548] - [29.0256185, 0.0240820489, -8.30639705e-06, 1.29822444e-09, -7.57124082e-14, -5.32782165e+04, -119.864821] - name: C6KET13 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.70686236, 0.0786587312, -5.2847486e-05, 1.74402371e-08, -2.21798402e-12, -4.53342182e+04, 22.1065759] - [25.8825405, 0.0262029247, -8.90539787e-06, 1.3770465e-09, -7.96812443e-14, -5.3438815e+04, -102.769588] - name: C6KET14 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.70686236, 0.0786587312, -5.2847486e-05, 1.74402371e-08, -2.21798402e-12, -4.53342182e+04, 22.1065759] - [25.8825405, 0.0262029247, -8.90539787e-06, 1.3770465e-09, -7.96812443e-14, -5.3438815e+04, -102.769588] - name: C6KET15 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.70686236, 0.0786587312, -5.2847486e-05, 1.74402371e-08, -2.21798402e-12, -4.53342182e+04, 22.1065759] - [25.8825405, 0.0262029247, -8.90539787e-06, 1.3770465e-09, -7.96812443e-14, -5.3438815e+04, -102.769588] - name: C6KET21 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.514482555, 0.0921784846, -6.94513152e-05, 2.60396658e-08, -3.86537916e-12, -4.47938808e+04, 39.1532333] - [27.9607714, 0.0242379297, -8.20343155e-06, 1.26648645e-09, -7.32501537e-14, -5.4385754e+04, -113.016914] - name: C6KET23 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.886325259, 0.0956932379, -7.66622031e-05, 3.13003623e-08, -5.14052764e-12, -4.69292576e+04, 39.8915047] - [27.7518536, 0.0244228814, -8.26691484e-06, 1.276209e-09, -7.38039402e-14, -5.6351503e+04, -112.222879] - name: C6KET24 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [3.38656723, 0.0751931934, -5.03122375e-05, 1.68156568e-08, -2.18752991e-12, -4.91634551e+04, 18.9837711] - [24.5827447, 0.0265291227, -8.85055847e-06, 1.3514065e-09, -7.75076694e-14, -5.64887218e+04, -94.9507504] - name: C6KET25 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [3.38656723, 0.0751931934, -5.03122375e-05, 1.68156568e-08, -2.18752991e-12, -4.91634551e+04, 18.9837711] - [24.5827447, 0.0265291227, -8.85055847e-06, 1.3514065e-09, -7.75076694e-14, -5.64887218e+04, -94.9507504] - name: C6KET26 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [2.91522244, 0.073429367, -4.53418223e-05, 1.33776385e-08, -1.43669218e-12, -4.695885e+04, 23.1405529] - [24.1192811, 0.0275685546, -9.34714604e-06, 1.44293337e-09, -8.33930684e-14, -5.4617652e+04, -91.9195513] - name: C6KET31 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1513.0, 5000.0] data: - [3.68645338, 0.0679151683, -3.49002426e-05, 5.86626515e-09, 3.80680692e-13, -4.70773283e+04, 19.4153944] - [24.7427707, 0.0265724465, -8.91511787e-06, 1.36741583e-09, -7.87033305e-14, -5.4992959e+04, -96.150662] - name: C6KET32 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.0340401334, 0.0900007504, -6.64122175e-05, 2.42781825e-08, -3.49817449e-12, -4.70631692e+04, 35.7622287] - [27.8409221, 0.0243352401, -8.23613901e-06, 1.2715117e-09, -7.35397855e-14, -5.65357668e+04, -113.496792] - name: C6KET34 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.0340401334, 0.0900007504, -6.64122175e-05, 2.42781825e-08, -3.49817449e-12, -4.70631692e+04, 35.7622287] - [27.8409221, 0.0243352401, -8.23613901e-06, 1.2715117e-09, -7.35397855e-14, -5.65357668e+04, -113.496792] - name: C6KET35 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1422.0, 5000.0] data: - [4.11000703, 0.0698568662, -4.01291482e-05, 9.49599829e-09, -4.210885e-13, -4.92736613e+04, 15.4877708] - [25.2008823, 0.025586798, -8.44943107e-06, 1.28209867e-09, -7.32384055e-14, -5.68781816e+04, -99.1884828] - name: C6KET36 composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1513.0, 5000.0] data: - [3.68645338, 0.0679151683, -3.49002426e-05, 5.86626515e-09, 3.80680692e-13, -4.70773283e+04, 19.4153944] - [24.7427707, 0.0265724465, -8.91511787e-06, 1.36741583e-09, -7.87033305e-14, -5.4992959e+04, -96.150662] - name: C5H91-1 composition: {H: 9, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.553601698, 0.0507680916, -3.27903964e-05, 1.0967233e-08, -1.50701628e-12, 2.47319519e+04, 25.2922332] - [14.3746526, 0.0199244772, -6.75299634e-06, 1.04202761e-09, -6.01991076e-14, 1.97695686e+04, -49.4774744] - name: C6H11O12-3OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1432.0, 5000.0] data: - [-2.27599349, 0.0986141518, -7.74723381e-05, 3.01376954e-08, -4.58669108e-12, -3.31277592e+04, 42.7007503] - [27.4037429, 0.0247674765, -8.29487594e-06, 1.27052501e-09, -7.30489658e-14, -4.27151891e+04, -114.645759] - name: C6H11O12-4OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1432.0, 5000.0] data: - [-2.27599349, 0.0986141518, -7.74723381e-05, 3.01376954e-08, -4.58669108e-12, -3.31277592e+04, 42.7007503] - [27.4037429, 0.0247674765, -8.29487594e-06, 1.27052501e-09, -7.30489658e-14, -4.27151891e+04, -114.645759] - name: C6H11O12-5OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1432.0, 5000.0] data: - [-2.27599349, 0.0986141518, -7.74723381e-05, 3.01376954e-08, -4.58669108e-12, -3.31277592e+04, 42.7007503] - [27.4037429, 0.0247674765, -8.29487594e-06, 1.27052501e-09, -7.30489658e-14, -4.27151891e+04, -114.645759] - name: C6H11O12-6OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-2.95097578, 0.0982464841, -7.59224537e-05, 2.92820284e-08, -4.45657904e-12, -3.08990846e+04, 47.7269227] - [26.4398182, 0.0260261489, -8.81968488e-06, 1.36137474e-09, -7.8684804e-14, -4.05410765e+04, -108.505405] - name: C6H11O13-2OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-5.04452953, 0.10591827, -8.58242816e-05, 3.47733637e-08, -5.55440543e-12, -3.34375726e+04, 55.3559272] - [26.3085971, 0.0261546948, -8.77769854e-06, 1.3461215e-09, -7.74534976e-14, -4.34234785e+04, -110.295283] - name: C6H11O13-4OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-5.04452953, 0.10591827, -8.58242816e-05, 3.47733637e-08, -5.55440543e-12, -3.34375726e+04, 55.3559272] - [26.3085971, 0.0261546948, -8.77769854e-06, 1.3461215e-09, -7.74534976e-14, -4.34234785e+04, -110.295283] - name: C6H11O13-5OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-5.04452953, 0.10591827, -8.58242816e-05, 3.47733637e-08, -5.55440543e-12, -3.34375726e+04, 55.3559272] - [26.3085971, 0.0261546948, -8.77769854e-06, 1.3461215e-09, -7.74534976e-14, -4.34234785e+04, -110.295283] - name: C6H11O13-6OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-5.60563964, 0.104991651, -8.32471205e-05, 3.31747712e-08, -5.24343976e-12, -3.12256985e+04, 59.8605002] - [25.4629106, 0.0272623626, -9.24125642e-06, 1.42660936e-09, -8.2458223e-14, -4.12981961e+04, -104.829559] - name: C6H11O14-2OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-7.31154133, 0.111367218, -9.09451363e-05, 3.71421722e-08, -5.98132077e-12, -4.30436125e+04, 65.8337228] - [25.63822, 0.0271509666, -9.12183288e-06, 1.39988818e-09, -8.05862525e-14, -5.35027729e+04, -108.120825] - name: C6H11O14-3OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-7.31154133, 0.111367218, -9.09451363e-05, 3.71421722e-08, -5.98132077e-12, -4.30436125e+04, 65.8337228] - [25.63822, 0.0271509666, -9.12183288e-06, 1.39988818e-09, -8.05862525e-14, -5.35027729e+04, -108.120825] - name: C6H11O14-5OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-7.31154133, 0.111367218, -9.09451363e-05, 3.71421722e-08, -5.98132077e-12, -4.30436125e+04, 65.8337228] - [25.63822, 0.0271509666, -9.12183288e-06, 1.39988818e-09, -8.05862525e-14, -5.35027729e+04, -108.120825] - name: C6H11O14-6OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1412.0, 5000.0] data: - [-9.39812599, 0.11751643, -9.957614e-05, 4.27858226e-08, -7.31024149e-12, -4.06059311e+04, 77.3575995] - [24.5656595, 0.0285283025, -9.69282356e-06, 1.49844211e-09, -8.66890301e-14, -5.12777917e+04, -101.359408] - name: C6H11O15-2OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.56356958, 0.121160691, -1.04208598e-04, 4.51613897e-08, -7.75046859e-12, -4.48492256e+04, 71.5665603] - [25.751433, 0.0279489406, -9.49498364e-06, 1.46787433e-09, -8.49251091e-14, -5.58563407e+04, -113.983278] - name: C6H11O15-3OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.56356958, 0.121160691, -1.04208598e-04, 4.51613897e-08, -7.75046859e-12, -4.48492256e+04, 71.5665603] - [25.751433, 0.0279489406, -9.49498364e-06, 1.46787433e-09, -8.49251091e-14, -5.58563407e+04, -113.983278] - name: C6H11O15-4OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.56356958, 0.121160691, -1.04208598e-04, 4.51613897e-08, -7.75046859e-12, -4.48492256e+04, 71.5665603] - [25.751433, 0.0279489406, -9.49498364e-06, 1.46787433e-09, -8.49251091e-14, -5.58563407e+04, -113.983278] - name: C6H11O15-6OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1410.0, 5000.0] data: - [-9.86762792, 0.119225986, -1.00035576e-04, 4.2445045e-08, -7.16631181e-12, -4.26812046e+04, 74.8455212] - [25.081266, 0.028754151, -9.82374389e-06, 1.52441144e-09, -8.84255093e-14, -5.37741881e+04, -109.448133] - name: C6H11O23-1OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-3.00051751, 0.101052251, -8.12852734e-05, 3.2682271e-08, -5.17958864e-12, -3.29962026e+04, 46.431218] - [26.9564039, 0.0252133315, -8.46015924e-06, 1.29728465e-09, -7.46387394e-14, -4.25735727e+04, -111.973745] - name: C6H11O23-4OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1443.0, 5000.0] data: - [-2.32023655, 0.101282059, -8.24064664e-05, 3.31693978e-08, -5.2140884e-12, -3.52234339e+04, 41.3949391] - [28.0583928, 0.023792822, -7.8731019e-06, 1.19630476e-09, -6.84039421e-14, -4.48154981e+04, -118.929909] - name: C6H11O23-5OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1443.0, 5000.0] data: - [-2.32023655, 0.101282059, -8.24064664e-05, 3.31693978e-08, -5.2140884e-12, -3.52234339e+04, 41.3949391] - [28.0583928, 0.023792822, -7.8731019e-06, 1.19630476e-09, -6.84039421e-14, -4.48154981e+04, -118.929909] - name: C6H11O23-6OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-3.00051751, 0.101052251, -8.12852734e-05, 3.2682271e-08, -5.17958864e-12, -3.29962026e+04, 46.431218] - [26.9564039, 0.0252133315, -8.46015924e-06, 1.29728465e-09, -7.46387394e-14, -4.25735727e+04, -111.973745] - name: C6H11O24-1OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1423.0, 5000.0] data: - [-5.62254622, 0.10770128, -8.86273652e-05, 3.66476695e-08, -5.99023124e-12, -3.3328252e+04, 58.4076967] - [25.9111942, 0.0264899573, -8.89134224e-06, 1.36353586e-09, -7.84507854e-14, -4.32925163e+04, -107.879889] - name: C6H11O24-3OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1433.0, 5000.0] data: - [-5.05790795, 0.108518606, -9.08699191e-05, 3.79673868e-08, -6.23050248e-12, -3.55387589e+04, 53.8980265] - [26.8522312, 0.0252818726, -8.39099827e-06, 1.27724274e-09, -7.31102872e-14, -4.54678687e+04, -113.918662] - name: C6H11O24-5OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1433.0, 5000.0] data: - [-5.05790795, 0.108518606, -9.08699191e-05, 3.79673868e-08, -6.23050248e-12, -3.55387589e+04, 53.8980265] - [26.8522312, 0.0252818726, -8.39099827e-06, 1.27724274e-09, -7.31102872e-14, -4.54678687e+04, -113.918662] - name: C6H11O24-6OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1423.0, 5000.0] data: - [-5.62254622, 0.10770128, -8.86273652e-05, 3.66476695e-08, -5.99023124e-12, -3.3328252e+04, 58.4076967] - [25.9111942, 0.0264899573, -8.89134224e-06, 1.36353586e-09, -7.84507854e-14, -4.32925163e+04, -107.879889] - name: C6H11O25-1OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-9.24035424, 0.119425795, -1.03974569e-04, 4.57446356e-08, -7.95660813e-12, -4.27327015e+04, 75.1088527] - [24.8755287, 0.0278565097, -9.37289923e-06, 1.43948573e-09, -8.28962898e-14, -5.320481e+04, -103.584543] - name: C6H11O25-3OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1421.0, 5000.0] data: - [-8.92888836, 0.122020603, -1.09968258e-04, 4.98119645e-08, -8.85746002e-12, -4.49187054e+04, 71.6554572] - [25.4725769, 0.0268960204, -8.94476389e-06, 1.36283531e-09, -7.80436306e-14, -5.51746673e+04, -107.502255] - name: C6H11O34-1OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1425.0, 5000.0] data: - [-3.00051751, 0.101052251, -8.12852734e-05, 3.2682271e-08, -5.17958864e-12, -3.29962026e+04, 46.431218] - [26.9564039, 0.0252133315, -8.46015924e-06, 1.29728465e-09, -7.46387394e-14, -4.25735727e+04, -111.973745] - name: C6H11O34-2OOH composition: {H: 12, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1443.0, 5000.0] data: - [-2.32023655, 0.101282059, -8.24064664e-05, 3.31693978e-08, -5.2140884e-12, -3.52234339e+04, 41.3949391] - [28.0583928, 0.023792822, -7.8731019e-06, 1.19630476e-09, -6.84039421e-14, -4.48154981e+04, -118.929909] - name: C4H7O12-4 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1521.0, 5000.0] data: - [-3.37974855, 0.0603280881, -5.19900485e-05, 2.23629697e-08, -3.72920327e-12, 9800.04298, 43.1033481] - [13.4570917, 0.0140456552, -4.31981858e-06, 6.22563489e-10, -3.42463069e-14, 4886.96367, -44.4520295] - name: C4H7O13-4 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1436.0, 5000.0] data: - [-4.66267157, 0.061520791, -5.06948989e-05, 2.1186324e-08, -3.4916356e-12, 9244.61326, 48.7364061] - [12.6383103, 0.0159453761, -5.13309123e-06, 7.64898728e-10, -4.31253622e-14, 3916.48984, -42.0740863] - name: C4H7O23-1 composition: {H: 7, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1324.0, 5000.0] data: - [-3.45625302, 0.0617954277, -5.36422388e-05, 2.24943234e-08, -3.70306875e-12, 7743.77568, 42.2227921] - [8.53917898, 0.0194224428, -6.06403336e-06, 6.79865833e-10, -1.50192364e-14, 5950.05552, -15.5618089] - name: C5H9O12-5 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [-4.74570948, 0.0755874963, -6.08534529e-05, 2.46895048e-08, -3.9623276e-12, 7086.53513, 51.5668737] - [17.1692866, 0.0196439921, -6.56270756e-06, 1.00313537e-09, -5.75797826e-14, 120.372734, -64.159442] - name: C5H9O13-5 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1458.0, 5000.0] data: - [-6.25393631, 0.079218487, -6.7099445e-05, 2.8760839e-08, -4.83752138e-12, 6546.68516, 58.0476602] - [15.5990028, 0.0200371413, -6.41154602e-06, 9.50807571e-10, -5.34042125e-14, 3.37602077, -56.0383294] - name: C5H9O14-5 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1447.0, 5000.0] data: - [-7.4921903, 0.080708578, -6.60336535e-05, 2.72423613e-08, -4.41750289e-12, -3237.49643, 63.6020351] - [15.4610559, 0.0206809909, -6.66141956e-06, 9.93099401e-10, -5.6011809e-14, -1.03327057e+04, -57.0023035] - name: C5H9O23-1 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-4.67636252, 0.0774809264, -6.42244373e-05, 2.6844008e-08, -4.43868315e-12, 4979.26865, 49.7877901] - [17.7401551, 0.0192298085, -6.43473125e-06, 9.84654362e-10, -5.6562483e-14, -2054.48135, -68.2408862] - name: C5H9O23-5 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-4.67636252, 0.0774809264, -6.42244373e-05, 2.6844008e-08, -4.43868315e-12, 4979.26865, 49.7877901] - [17.7401551, 0.0192298085, -6.43473125e-06, 9.84654362e-10, -5.6562483e-14, -2054.48135, -68.2408862] - name: C5H9O24-1 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-6.45048964, 0.0825684509, -7.3063555e-05, 3.23767886e-08, -5.72480023e-12, 4474.17427, 57.4524602] - [14.0157807, 0.0251554423, -1.11149003e-05, 2.14885206e-09, -1.44559627e-13, -1547.69089, -48.8521063] - name: AC3H5CHO composition: {H: 6, C: 4, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.135627837, 0.04321028, -2.86018998e-05, 9.48372797e-09, -1.26553781e-12, -1.08101418e+04, 29.3765145] - [12.7609075, 0.0148416812, -5.16797249e-06, 8.12052956e-10, -4.75111888e-14, -1.5480219e+04, -40.5362549] - name: PC4H9CO composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [2.32674439, 0.046956799, -2.17002843e-05, 2.33166983e-09, 6.15109331e-13, -1.15824032e+04, 19.9866279] - [16.7761337, 0.0202898448, -6.94418179e-06, 1.07888297e-09, -6.26360391e-14, -1.72426942e+04, -60.0185187] - name: C6KET12O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [2.48709886, 0.0684851704, -3.91082619e-05, 9.26081053e-09, -5.01384589e-13, -2.64222925e+04, 22.5084325] - [24.4011335, 0.0243695802, -8.52760748e-06, 1.34452656e-09, -7.88560069e-14, -3.46915506e+04, -97.6141351] - name: C6KET13O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [3.39465791, 0.063445055, -3.11900396e-05, 3.70312592e-09, 8.80779018e-13, -2.72582338e+04, 17.4777979] - [24.3086453, 0.0235169486, -8.03437802e-06, 1.24733142e-09, -7.23954247e-14, -3.520415e+04, -97.6594163] - name: C6KET14O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [3.39465791, 0.063445055, -3.11900396e-05, 3.70312592e-09, 8.80779018e-13, -2.72582338e+04, 17.4777979] - [24.3086453, 0.0235169486, -8.03437802e-06, 1.24733142e-09, -7.23954247e-14, -3.520415e+04, -97.6594163] - name: C6KET15O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [3.39465791, 0.063445055, -3.11900396e-05, 3.70312592e-09, 8.80779018e-13, -2.72582338e+04, 17.4777979] - [24.3086453, 0.0235169486, -8.03437802e-06, 1.24733142e-09, -7.23954247e-14, -3.520415e+04, -97.6594163] - name: C6KET21O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1487.0, 5000.0] data: - [7.39116829, 0.0444580281, -6.38228035e-06, -9.61459324e-09, 3.45678863e-12, -2.86152512e+04, 0.12809315] - [22.5293622, 0.0247975925, -8.43579282e-06, 1.3065801e-09, -7.57309929e-14, -3.53514289e+04, -86.5954633] - name: C6KET23O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [3.25181786, 0.0646413698, -3.58852109e-05, 8.3046973e-09, -4.2574625e-13, -3.02655065e+04, 18.9862996] - [22.9408073, 0.0251899756, -8.71525786e-06, 1.36369341e-09, -7.95562705e-14, -3.77254587e+04, -89.0236293] - name: C6KET24O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1530.0, 5000.0] data: - [4.41342175, 0.0598412718, -3.19612065e-05, 6.55909263e-09, -5.07843738e-14, -3.11596284e+04, 12.5825004] - [21.7184075, 0.0247007497, -8.21787847e-06, 1.25253279e-09, -7.17484997e-14, -3.75473266e+04, -81.9767338] - name: C6KET25O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1530.0, 5000.0] data: - [4.41342175, 0.0598412718, -3.19612065e-05, 6.55909263e-09, -5.07843738e-14, -3.11596284e+04, 12.5825004] - [21.7184075, 0.0247007497, -8.21787847e-06, 1.25253279e-09, -7.17484997e-14, -3.75473266e+04, -81.9767338] - name: C6KET26O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1527.0, 5000.0] data: - [4.01263738, 0.0566756784, -2.38571625e-05, 8.7712216e-10, 1.22542395e-12, -2.89322231e+04, 16.4535234] - [21.3007803, 0.0258716731, -8.79653453e-06, 1.36062148e-09, -7.87479444e-14, -3.57843109e+04, -79.6089891] - name: C6KET31O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1305.0, 5000.0] data: - [5.02858055, 0.0512156892, -1.40537055e-05, -6.1262024e-09, 2.92422949e-12, -2.9121382e+04, 11.3420391] - [22.0864552, 0.0246779992, -8.28346973e-06, 1.27113585e-09, -7.31921565e-14, -3.61540517e+04, -84.6188998] - name: C6KET32O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [4.28777527, 0.0583079361, -2.63826419e-05, 2.44071634e-09, 8.678149e-13, -3.04212126e+04, 14.0253081] - [22.3075626, 0.0254572934, -8.74888878e-06, 1.36294097e-09, -7.92726719e-14, -3.75305099e+04, -85.908955] - name: C6KET34O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1381.0, 5000.0] data: - [4.28777527, 0.0583079361, -2.63826419e-05, 2.44071634e-09, 8.678149e-13, -3.04212126e+04, 14.0253081] - [22.3075626, 0.0254572934, -8.74888878e-06, 1.36294097e-09, -7.92726719e-14, -3.75305099e+04, -85.908955] - name: C6KET35O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [4.84610323, 0.0524943003, -1.5539189e-05, -5.44987122e-09, 2.81073621e-12, -3.11401488e+04, 11.104562] - [22.6318948, 0.0241684263, -8.10341688e-06, 1.24303233e-09, -7.15692685e-14, -3.84096424e+04, -88.7241802] - name: C6KET36O composition: {H: 11, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1305.0, 5000.0] data: - [5.02858055, 0.0512156892, -1.40537055e-05, -6.1262024e-09, 2.92422949e-12, -2.9121382e+04, 11.3420391] - [22.0864552, 0.0246779992, -8.28346973e-06, 1.27113585e-09, -7.31921565e-14, -3.61540517e+04, -84.6188998] - name: C6H12OOH1-2O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1535.0, 5000.0] data: - [2.80591255, 0.0779229941, -4.02499146e-05, 6.01126951e-09, 7.21748984e-13, -2.70819447e+04, 23.3451434] - [29.2647989, 0.0269146554, -9.38475487e-06, 1.47659709e-09, -8.64902012e-14, -3.71424073e+04, -122.240832] - name: C6H12OOH1-3O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1535.0, 5000.0] data: - [2.80591255, 0.0779229941, -4.02499146e-05, 6.01126951e-09, 7.21748984e-13, -2.70819447e+04, 23.3451434] - [29.2647989, 0.0269146554, -9.38475487e-06, 1.47659709e-09, -8.64902012e-14, -3.71424073e+04, -122.240832] - name: C6H12OOH1-4O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1535.0, 5000.0] data: - [2.80591255, 0.0779229941, -4.02499146e-05, 6.01126951e-09, 7.21748984e-13, -2.70819447e+04, 23.3451434] - [29.2647989, 0.0269146554, -9.38475487e-06, 1.47659709e-09, -8.64902012e-14, -3.71424073e+04, -122.240832] - name: C6H12OOH1-5O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1535.0, 5000.0] data: - [2.80591255, 0.0779229941, -4.02499146e-05, 6.01126951e-09, 7.21748984e-13, -2.70819447e+04, 23.3451434] - [29.2647989, 0.0269146554, -9.38475487e-06, 1.47659709e-09, -8.64902012e-14, -3.71424073e+04, -122.240832] - name: C6H12OOH2-1O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.34629056, 0.0824137185, -5.70430278e-05, 1.99491279e-08, -2.77573029e-12, -2.73151509e+04, 19.3763739] - [26.83942, 0.0278771803, -9.46581223e-06, 1.46245818e-09, -8.45621758e-14, -3.54171892e+04, -106.76319] - name: C6H12OOH2-3O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.14026689, 0.0905994482, -7.11844189e-05, 2.92349633e-08, -4.87305224e-12, -2.92400104e+04, 23.4016654] - [27.0100981, 0.0275803123, -9.32839137e-06, 1.43724826e-09, -8.29386001e-14, -3.73322411e+04, -108.327965] - name: C6H12OOH2-4O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.14026689, 0.0905994482, -7.11844189e-05, 2.92349633e-08, -4.87305224e-12, -2.92400104e+04, 23.4016654] - [27.0100981, 0.0275803123, -9.32839137e-06, 1.43724826e-09, -8.29386001e-14, -3.73322411e+04, -108.327965] - name: C6H12OOH2-5O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.14026689, 0.0905994482, -7.11844189e-05, 2.92349633e-08, -4.87305224e-12, -2.92400104e+04, 23.4016654] - [27.0100981, 0.0275803123, -9.32839137e-06, 1.43724826e-09, -8.29386001e-14, -3.73322411e+04, -108.327965] - name: C6H12OOH2-6O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.34629056, 0.0824137185, -5.70430278e-05, 1.99491279e-08, -2.77573029e-12, -2.73151509e+04, 19.3763739] - [26.83942, 0.0278771803, -9.46581223e-06, 1.46245818e-09, -8.45621758e-14, -3.54171892e+04, -106.76319] - name: C6H12OOH3-1O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.34629056, 0.0824137185, -5.70430278e-05, 1.99491279e-08, -2.77573029e-12, -2.73151509e+04, 19.3763739] - [26.83942, 0.0278771803, -9.46581223e-06, 1.46245818e-09, -8.45621758e-14, -3.54171892e+04, -106.76319] - name: C6H12OOH3-2O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.14026689, 0.0905994482, -7.11844189e-05, 2.92349633e-08, -4.87305224e-12, -2.92400104e+04, 23.4016654] - [27.0100981, 0.0275803123, -9.32839137e-06, 1.43724826e-09, -8.29386001e-14, -3.73322411e+04, -108.327965] - name: C6H12OOH3-4O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.14026689, 0.0905994482, -7.11844189e-05, 2.92349633e-08, -4.87305224e-12, -2.92400104e+04, 23.4016654] - [27.0100981, 0.0275803123, -9.32839137e-06, 1.43724826e-09, -8.29386001e-14, -3.73322411e+04, -108.327965] - name: C6H12OOH3-5O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1408.0, 5000.0] data: - [2.14026689, 0.0905994482, -7.11844189e-05, 2.92349633e-08, -4.87305224e-12, -2.92400104e+04, 23.4016654] - [27.0100981, 0.0275803123, -9.32839137e-06, 1.43724826e-09, -8.29386001e-14, -3.73322411e+04, -108.327965] - name: C6H12OOH3-6O composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [3.34629056, 0.0824137185, -5.70430278e-05, 1.99491279e-08, -2.77573029e-12, -2.73151509e+04, 19.3763739] - [26.83942, 0.0278771803, -9.46581223e-06, 1.46245818e-09, -8.45621758e-14, -3.54171892e+04, -106.76319] - name: NC5H11CHO composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [1.26510376, 0.0645800926, -3.38952057e-05, 6.81908963e-09, -7.71461981e-14, -3.3037041e+04, 25.5776945] - [20.4873253, 0.0268430457, -9.19116692e-06, 1.42823241e-09, -8.29221047e-14, -4.03782423e+04, -80.1141801] - name: C6Y2 composition: {H: 12, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.91874702, 0.0612265198, -3.15172753e-05, 6.28658563e-09, -6.56228984e-14, -3.68622671e+04, 22.576212] - [19.170258, 0.0271941021, -9.146028e-06, 1.40414058e-09, -8.08375794e-14, -4.34193894e+04, -72.1956796] - name: CH3COOH composition: {H: 4, C: 2, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [2.78950201, 9.99941719e-03, 3.42572245e-05, -5.09031329e-08, 2.06222185e-11, -5.34752488e+04, 14.1053123] - [7.67084601, 0.0135152602, -5.25874333e-06, 8.93184479e-10, -5.53180543e-14, -5.5756097e+04, -15.4677315] note: g6/00 - name: C2H5COOH composition: {H: 6, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [5.51515351, -1.02654246e-05, 7.54897239e-05, -9.81744541e-08, 3.88829515e-11, -5.63618075e+04, 6.11744431] - [8.61036813, 0.0187894582, -6.70711294e-06, 1.074283e-09, -6.38870386e-14, -5.84807549e+04, -16.3110488] note: T11/07 - name: C6H12-1 composition: {H: 12, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-0.488101166, 0.066022399, -4.03430121e-05, 1.23616901e-08, -1.50560345e-12, -7493.99629, 31.2755041] - [17.7068656, 0.0269421757, -9.19125439e-06, 1.4244284e-09, -8.25377749e-14, -1.41883983e+04, -67.7121636] - name: C6H12-2 composition: {H: 12, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.264795074, 0.0614938008, -3.36108501e-05, 8.31993597e-09, -6.42021164e-13, -8897.72499, 27.4114997] - [17.2811801, 0.0272154214, -9.26717645e-06, 1.43446313e-09, -8.30514585e-14, -1.53826845e+04, -65.9650838] - name: C6H12-3 composition: {H: 12, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [-0.17260704, 0.0619357715, -3.37261047e-05, 8.23624938e-09, -6.03434172e-13, -8750.56335, 29.037844] - [17.0313735, 0.0273270171, -9.28504971e-06, 1.43523149e-09, -8.30182955e-14, -1.53031077e+04, -65.3708588] - name: C6H111-3 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [-0.180747803, 0.0622067565, -3.63722507e-05, 9.77864452e-09, -8.75066308e-13, 9242.16018, 30.059138] - [18.1062746, 0.0241474871, -8.16683437e-06, 1.25923677e-09, -7.27359868e-14, 2458.78515, -69.7527464] - name: C6H111-4 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.15589239, 0.0534977768, -2.4812097e-05, 3.38660024e-09, 4.19889741e-13, 1.55875202e+04, 27.1720322] - [16.1989292, 0.0255342673, -8.67483385e-06, 1.340641e-09, -7.75312952e-14, 9671.2743, -56.1196642] - name: C6H111-5 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [1.15589239, 0.0534977768, -2.4812097e-05, 3.38660024e-09, 4.19889741e-13, 1.55875202e+04, 27.1720322] - [16.1989292, 0.0255342673, -8.67483385e-06, 1.340641e-09, -7.75312952e-14, 9671.2743, -56.1196642] - name: C6H111-6 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [0.0871879475, 0.0614727795, -3.75054886e-05, 1.14767733e-08, -1.41643272e-12, 1.71987905e+04, 30.9015588] - [17.4644753, 0.0247005987, -8.53334148e-06, 1.33367297e-09, -7.77343118e-14, 1.07088778e+04, -63.9032857] - name: C6H112-4 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.0809214028, 0.0600167919, -3.34681107e-05, 8.44580243e-09, -6.67121954e-13, 8078.76099, 27.8967527] - [16.8906239, 0.0255067554, -8.69671971e-06, 1.3474388e-09, -7.80675027e-14, 1664.48555, -65.0840113] - name: C6H112-5 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [2.08038945, 0.0483569471, -1.72566989e-05, -1.13784525e-09, 1.38654068e-12, 1.41534725e+04, 22.4803229] - [15.7816863, 0.0257956633, -8.74566769e-06, 1.3497795e-09, -7.79887258e-14, 8483.13934, -54.3988313] - name: C6H112-6 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [0.638205633, 0.057875802, -3.22194721e-05, 8.38982851e-09, -7.74542374e-13, 1.58248386e+04, 27.971326] - [16.9591869, 0.0251413831, -8.68761395e-06, 1.35795747e-09, -7.91556719e-14, 9536.73982, -61.7306897] - name: C6H113-1 composition: {H: 11, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [0.239410938, 0.0582991009, -3.24715921e-05, 8.38108128e-09, -7.27332655e-13, 1.59623764e+04, 30.0781535] - [16.3801476, 0.0254479755, -8.6610529e-06, 1.34023418e-09, -7.75806403e-14, 9843.8256, -58.3757912] - name: C6H12OH-1J2 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.5287969, 0.0702411418, -4.39606425e-05, 1.4075012e-08, -1.82860462e-12, -1.77206486e+04, 27.2130211] - [20.5219095, 0.0285941986, -9.71574333e-06, 1.50154769e-09, -8.68352394e-14, -2.46176531e+04, -75.803961] - name: C6H12OH-2J1 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [1.12882665, 0.077933429, -5.78628264e-05, 2.29540709e-08, -3.76055142e-12, -1.86725358e+04, 26.4835374] - [21.6778753, 0.0271851643, -9.13650238e-06, 1.4015253e-09, -8.06255019e-14, -2.55354913e+04, -82.9034809] - name: C6H12OH-2J3 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.24040698, 0.0741986609, -5.16292083e-05, 1.9023117e-08, -2.89350308e-12, -1.97802722e+04, 27.0192329] - [20.8484871, 0.0276635202, -9.2546267e-06, 1.41532103e-09, -8.12482889e-14, -2.65002333e+04, -77.9996791] - name: C6H12OH-3J2 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.24040698, 0.0741986609, -5.16292083e-05, 1.9023117e-08, -2.89350308e-12, -1.97802722e+04, 27.0192329] - [20.8484871, 0.0276635202, -9.2546267e-06, 1.41532103e-09, -8.12482889e-14, -2.65002333e+04, -77.9996791] - name: C6H12OH-3J4 composition: {H: 13, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.24040698, 0.0741986609, -5.16292083e-05, 1.9023117e-08, -2.89350308e-12, -1.97802722e+04, 27.0192329] - [20.8484871, 0.0276635202, -9.2546267e-06, 1.41532103e-09, -8.12482889e-14, -2.65002333e+04, -77.9996791] - name: C6H12OH-1O2-2 composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [1.21185034, 0.0886935209, -6.52629776e-05, 2.48084263e-08, -3.82705801e-12, -3.67836493e+04, 30.6087511] - [26.241622, 0.0283873841, -9.6426914e-06, 1.49018659e-09, -8.61823559e-14, -4.52283711e+04, -103.056223] - name: C6H12OH-2O2-1 composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.848833477, 0.089605724, -6.76377691e-05, 2.68760659e-08, -4.38117112e-12, -3.67038364e+04, 32.6746588] - [25.4686767, 0.0290602674, -9.87649038e-06, 1.52670395e-09, -8.83047932e-14, -4.49414723e+04, -98.4561539] - name: C6H12OH-2O2-3 composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [1.25084224, 0.0916687695, -7.30413883e-05, 3.06072325e-08, -5.20205053e-12, -3.88977871e+04, 28.8405166] - [25.846439, 0.0281918402, -9.45730022e-06, 1.44892549e-09, -8.32798272e-14, -4.6784866e+04, -101.026245] - name: C6H12OH-3O2-2 composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [1.25084224, 0.0916687695, -7.30413883e-05, 3.06072325e-08, -5.20205053e-12, -3.88977871e+04, 28.8405166] - [25.846439, 0.0281918402, -9.45730022e-06, 1.44892549e-09, -8.32798272e-14, -4.6784866e+04, -101.026245] - name: C6H12OH-3O2-4 composition: {H: 13, C: 6, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [1.25084224, 0.0916687695, -7.30413883e-05, 3.06072325e-08, -5.20205053e-12, -3.88977871e+04, 28.8405166] - [25.846439, 0.0281918402, -9.45730022e-06, 1.44892549e-09, -8.32798272e-14, -4.6784866e+04, -101.026245] - name: PC4H9CHO composition: {H: 10, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [1.55168051, 0.0517580624, -2.47521866e-05, 3.39585733e-09, 4.54214964e-13, -3.01104924e+04, 22.5340321] - [17.1928366, 0.0224205079, -7.66524563e-06, 1.18999819e-09, -6.90481012e-14, -3.6204845e+04, -63.926545] - name: PC4H8CHO-1 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [0.884469923, 0.0526232725, -2.83373818e-05, 5.66303879e-09, -3.63459101e-15, -9892.41254, 25.0250388] - [17.3203841, 0.0200050584, -6.88462599e-06, 1.07357298e-09, -6.24869113e-14, -1.6087944e+04, -65.1443168] - name: PC4H8CHO-2 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [3.19129086, 0.0391487154, -8.88573585e-06, -5.863404e-09, 2.44961462e-12, -7026.33915, 18.4682536] - [15.8456286, 0.0208430527, -7.08562851e-06, 1.09605491e-09, -6.34445999e-14, -1.24300179e+04, -53.2908403] - name: PC4H8CHO-3 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [3.19129086, 0.0391487154, -8.88573585e-06, -5.863404e-09, 2.44961462e-12, -7026.33915, 18.4682536] - [15.8456286, 0.0208430527, -7.08562851e-06, 1.09605491e-09, -6.34445999e-14, -1.24300179e+04, -53.2908403] - name: PC4H8CHO-4 composition: {H: 9, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [1.89962807, 0.0483598549, -2.373815e-05, 3.58762168e-09, 3.40201608e-13, -5387.02187, 23.1840311] - [16.6333143, 0.0203619734, -6.95844731e-06, 1.08002411e-09, -6.265916e-14, -1.1082493e+04, -58.1167187] - name: C6H11-1D3O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [2.10835922, 0.0653603616, -4.08332113e-05, 1.28408111e-08, -1.65145256e-12, -1365.59988, 21.2769181] - [21.2331424, 0.0248369812, -8.66311197e-06, 1.36270774e-09, -7.9785211e-14, -8519.40477, -83.0721992] - name: C6H11-1D4O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [1.74896641, 0.0659595125, -4.28715185e-05, 1.38805462e-08, -1.74690339e-12, -1757.25189, 22.4374197] - [20.2215422, 0.0243935819, -8.22353442e-06, 1.2643591e-09, -7.2859142e-14, -8259.70727, -77.2129963] - name: C6H11-1D5O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [1.74896641, 0.0659595125, -4.28715185e-05, 1.38805462e-08, -1.74690339e-12, -1757.25189, 22.4374197] - [20.2215422, 0.0243935819, -8.22353442e-06, 1.2643591e-09, -7.2859142e-14, -8259.70727, -77.2129963] - name: C6H11-1D6O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [1.65674953, 0.0636239531, -3.67332362e-05, 9.4398431e-09, -7.26849847e-13, 356.29691, 24.3747538] - [20.4129591, 0.0248384017, -8.51026795e-06, 1.32292012e-09, -7.68252415e-14, -6610.87614, -78.0582419] - name: C6H11-2D1O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1999.0, 5000.0] data: - [6.40521825, 0.0423558507, -7.63213993e-06, -5.93172496e-09, 2.0479011e-12, -1071.94029, 2.22105053] - [16.3147059, 0.0308756722, -1.12659286e-05, 1.83193378e-09, -1.09891277e-13, -5485.21972, -54.9439851] - name: C6H11-2D4O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [2.99930917, 0.0604876255, -3.3826199e-05, 8.7428385e-09, -7.93336016e-13, -2797.50804, 16.7172352] - [20.7337615, 0.0252406898, -8.79759458e-06, 1.38318161e-09, -8.09557361e-14, -9674.7673, -80.89013] - name: C6H11-2D5O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [2.54000411, 0.0612908043, -3.59176813e-05, 9.70008242e-09, -8.53771601e-13, -3167.82333, 18.3891887] - [19.8339795, 0.0246335527, -8.2884842e-06, 1.2727869e-09, -7.32851452e-14, -9472.74334, -75.6901783] - name: C6H11-2D6O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [2.70082133, 0.0578441974, -2.8998018e-05, 5.19918235e-09, 1.16017596e-13, -1087.09477, 19.1870295] - [19.5292766, 0.0255039957, -8.72047811e-06, 1.35366557e-09, -7.85302933e-14, -7598.24209, -73.6136387] - name: C6H11-3D1O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.34238003, 0.05794521, -2.86377646e-05, 4.84570137e-09, 2.08901971e-13, -952.014318, 21.1357667] - [19.2747614, 0.0256242111, -8.74228366e-06, 1.35514342e-09, -7.85422e-14, -7519.01058, -72.3056917] - name: C6H11-3D2O composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1380.0, 5000.0] data: - [2.54762399, 0.0607926451, -3.36415232e-05, 8.47505102e-09, -7.17131188e-13, -2642.30465, 19.1434934] - [20.3827442, 0.0255217123, -8.89072063e-06, 1.39731901e-09, -8.17627196e-14, -9570.80422, -79.0711932] - name: NC5H11CO composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [2.03899694, 0.0597834497, -3.08487256e-05, 5.75699235e-09, 8.35477271e-14, -1.45087642e+04, 23.0358058] - [20.0712533, 0.0247109029, -8.46937882e-06, 1.31698154e-09, -7.65012214e-14, -2.14161547e+04, -76.2093348] - name: NC5H10CHO-1 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.57818462, 0.0655176768, -3.75505403e-05, 9.10037088e-09, -5.32652119e-13, -1.28157111e+04, 28.1624025] - [20.64821, 0.0243700759, -8.38484086e-06, 1.30722981e-09, -7.60729502e-14, -2.02725848e+04, -81.5155501] - name: NC5H10CHO-2 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1372.0, 5000.0] data: - [2.74720823, 0.0526109114, -1.88709415e-05, -2.03156157e-09, 1.85276474e-12, -9927.71663, 22.2524075] - [19.1787632, 0.0251424561, -8.54947751e-06, 1.32258961e-09, -7.65569904e-14, -1.65995988e+04, -69.6557486] - name: NC5H10CHO-3 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1372.0, 5000.0] data: - [2.74720823, 0.0526109114, -1.88709415e-05, -2.03156157e-09, 1.85276474e-12, -9927.71663, 22.2524075] - [19.1787632, 0.0251424561, -8.54947751e-06, 1.32258961e-09, -7.65569904e-14, -1.65995988e+04, -69.6557486] - name: NC5H10CHO-4 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1372.0, 5000.0] data: - [2.74720823, 0.0526109114, -1.88709415e-05, -2.03156157e-09, 1.85276474e-12, -9927.71663, 22.2524075] - [19.1787632, 0.0251424561, -8.54947751e-06, 1.32258961e-09, -7.65569904e-14, -1.65995988e+04, -69.6557486] - name: NC5H10CHO-5 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.60690963, 0.0612092931, -3.29226741e-05, 7.03661827e-09, -1.96773498e-13, -8312.63906, 26.256143] - [19.9255677, 0.0247873156, -8.48543707e-06, 1.31842819e-09, -7.65429548e-14, -1.52547493e+04, -74.2913571] - name: C6H10D13 composition: {H: 10, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-1.48701712, 0.0683526916, -5.17682192e-05, 2.10789514e-08, -3.57266133e-12, 4581.62436, 33.4156371] - [16.9088929, 0.0230881104, -7.89077821e-06, 1.22430123e-09, -7.0996313e-14, -1644.75595, -64.6806187] - name: C6H10D24 composition: {H: 10, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-0.363783422, 0.0636719104, -4.5309016e-05, 1.73368393e-08, -2.79133016e-12, 3040.87286, 27.546947] - [16.7662657, 0.0232109616, -7.93355119e-06, 1.23101995e-09, -7.13892514e-14, -2933.24539, -64.4104411] - name: C6H101-5 composition: {H: 10, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-1.01375402, 0.0638242808, -4.4065386e-05, 1.58295163e-08, -2.30830701e-12, 7940.33696, 32.5056094] - [16.045603, 0.0234774145, -7.85797929e-06, 1.20200542e-09, -6.90100029e-14, 2118.99382, -58.845246] note: 4/12/13THERM - name: C6H9-A composition: {H: 9, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [-2.66715213, 0.0726196475, -6.0532392e-05, 2.66000571e-08, -4.74613408e-12, 2.64415017e+04, 40.2220332] - [17.0842767, 0.0208842788, -7.14529004e-06, 1.10943563e-09, -6.43676989e-14, 2.01040204e+04, -63.9326012] note: 12/5/12THERM - name: NC7H16 composition: {H: 16, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-0.908407323, 0.085275353, -5.25668671e-05, 1.6295425e-08, -2.0105013e-12, -2.57434808e+04, 33.8295611] - [22.5012314, 0.0346122447, -1.18043982e-05, 1.828945e-09, -1.05955678e-13, -3.43062239e+04, -93.3711818] - name: C7H15-1 composition: {H: 15, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-0.522253662, 0.0816834621, -5.13242874e-05, 1.64263255e-08, -2.12850251e-12, -1024.68974, 35.0045259] - [21.8654648, 0.0327099467, -1.11707195e-05, 1.7323078e-09, -1.00418683e-13, -9169.95934, -86.4724252] - name: C7H15-2 composition: {H: 15, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.397035978, 0.0741511374, -3.83235778e-05, 7.74076842e-09, -1.21846705e-13, -2612.70661, 31.9805516] - [21.4174224, 0.0328392073, -1.11628188e-05, 1.72585155e-09, -9.98390142e-14, -1.06455467e+04, -83.5962465] - name: C7H15-3 composition: {H: 15, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.397035978, 0.0741511374, -3.83235778e-05, 7.74076842e-09, -1.21846705e-13, -2612.70661, 31.9805516] - [21.4174224, 0.0328392073, -1.11628188e-05, 1.72585155e-09, -9.98390142e-14, -1.06455467e+04, -83.5962465] - name: C7H15-4 composition: {H: 15, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [0.397035978, 0.0741511374, -3.83235778e-05, 7.74076842e-09, -1.21846705e-13, -2612.70661, 31.29107] - [21.4174224, 0.0328392073, -1.11628188e-05, 1.72585155e-09, -9.98390142e-14, -1.06455467e+04, -84.2857282] - name: C7H15OOH-1 composition: {H: 16, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.0244103755, 0.0972280184, -6.48026839e-05, 2.19866894e-08, -3.02783193e-12, -3.58214014e+04, 35.4617251] - [27.9204752, 0.0347496458, -1.1962756e-05, 1.86536439e-09, -1.08554328e-13, -4.57936217e+04, -115.336506] - name: C7H15OOH-2 composition: {H: 16, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.426850488, 0.0992387786, -6.99733098e-05, 2.55385488e-08, -3.80729481e-12, -3.80148806e+04, 31.6318606] - [28.3104576, 0.0339515981, -1.15841285e-05, 1.79549391e-09, -1.04049983e-13, -4.76576895e+04, -118.022294] - name: C7H15OOH-3 composition: {H: 16, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.426850488, 0.0992387786, -6.99733098e-05, 2.55385488e-08, -3.80729481e-12, -3.80148806e+04, 31.6318606] - [28.3104576, 0.0339515981, -1.15841285e-05, 1.79549391e-09, -1.04049983e-13, -4.76576895e+04, -118.022294] - name: C7H15OOH-4 composition: {H: 16, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.426850488, 0.0992387786, -6.99733098e-05, 2.55385488e-08, -3.80729481e-12, -3.80148806e+04, 30.942379] - [28.3104576, 0.0339515981, -1.15841285e-05, 1.79549391e-09, -1.04049983e-13, -4.76576895e+04, -118.711776] - name: C7H15-1O2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.836337744, 0.0912081598, -5.96066427e-05, 1.97488007e-08, -2.6461599e-12, -1.91440702e+04, 32.1770108] - [26.9033908, 0.0334773175, -1.1520457e-05, 1.79592321e-09, -1.04493268e-13, -2.85365673e+04, -108.980069] - name: C7H15-2O2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.2019826, 0.0933836346, -6.50845852e-05, 2.35152589e-08, -3.47595547e-12, -2.13315851e+04, 28.5195439] - [27.2644843, 0.0326945656, -1.1145017e-05, 1.72632915e-09, -9.9995953e-14, -3.03857809e+04, -111.491892] - name: C7H15-3O2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.2019826, 0.0933836346, -6.50845852e-05, 2.35152589e-08, -3.47595547e-12, -2.13315851e+04, 28.5195439] - [27.2644843, 0.0326945656, -1.1145017e-05, 1.72632915e-09, -9.9995953e-14, -3.03857809e+04, -111.491892] - name: C7H15-4O2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.2019826, 0.0933836346, -6.50845852e-05, 2.35152589e-08, -3.47595547e-12, -2.13315851e+04, 27.8300623] - [27.2644843, 0.0326945656, -1.1145017e-05, 1.72632915e-09, -9.9995953e-14, -3.03857809e+04, -112.181374] - name: C7H15-1O composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.08712676, 0.0837177054, -4.99666505e-05, 1.38344242e-08, -1.30534462e-12, -1.78779963e+04, 28.2643327] - [25.4635504, 0.0322254199, -1.10128382e-05, 1.70895056e-09, -9.91208953e-14, -2.68244738e+04, -104.477256] - name: C7H15-2O composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [1.24372086, 0.0852381806, -5.46532468e-05, 1.74130635e-08, -2.154619e-12, -1.99857138e+04, 26.1409435] - [25.1497576, 0.0320423962, -1.08501319e-05, 1.67316908e-09, -9.66167291e-14, -2.84846401e+04, -103.072531] - name: C7H15-3O composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [1.24372086, 0.0852381806, -5.46532468e-05, 1.74130635e-08, -2.154619e-12, -1.99857138e+04, 26.1409435] - [25.1497576, 0.0320423962, -1.08501319e-05, 1.67316908e-09, -9.66167291e-14, -2.84846401e+04, -103.072531] - name: C7H15-4O composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [1.24372086, 0.0852381806, -5.46532468e-05, 1.74130635e-08, -2.154619e-12, -1.99857138e+04, 25.4514619] - [25.1497576, 0.0320423962, -1.08501319e-05, 1.67316908e-09, -9.66167291e-14, -2.84846401e+04, -103.762012] - name: C7H14OOH1-2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [2.05850536, 0.0870775096, -5.55512656e-05, 1.78824057e-08, -2.31482549e-12, -1.27240467e+04, 28.0673449] - [26.7171408, 0.0331297539, -1.13820614e-05, 1.77234804e-09, -1.03039297e-13, -2.16844611e+04, -105.713265] - name: C7H14OOH1-3 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.63529329, 0.0852179548, -5.10436504e-05, 1.44161078e-08, -1.4416976e-12, -1.27398444e+04, 31.4605052] - [26.124711, 0.033310184, -1.1374881e-05, 1.76415357e-09, -1.02280823e-13, -2.17289232e+04, -101.864981] - name: C7H14OOH1-4 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.63529329, 0.0852179548, -5.10436504e-05, 1.44161078e-08, -1.4416976e-12, -1.27398444e+04, 31.4605052] - [26.124711, 0.033310184, -1.1374881e-05, 1.76415357e-09, -1.02280823e-13, -2.17289232e+04, -101.864981] - name: C7H14OOH1-5 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.63529329, 0.0852179548, -5.10436504e-05, 1.44161078e-08, -1.4416976e-12, -1.27398444e+04, 31.4605052] - [26.124711, 0.033310184, -1.1374881e-05, 1.76415357e-09, -1.02280823e-13, -2.17289232e+04, -101.864981] - name: C7H14OOH2-1 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [1.28356907, 0.0944955667, -6.71910982e-05, 2.46830552e-08, -3.69644605e-12, -1.34221407e+04, 29.8300713] - [27.9788938, 0.0317340951, -1.08300553e-05, 1.67892063e-09, -9.73081404e-14, -2.2619155e+04, -113.340193] - name: C7H14OOH2-3 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.37029828, 0.0895430479, -6.16372659e-05, 2.20878637e-08, -3.24866065e-12, -1.49038443e+04, 24.6535755] - [27.0174196, 0.0323668637, -1.10064699e-05, 1.70200278e-09, -9.84688459e-14, -2.34973718e+04, -107.846478] - name: C7H14OOH2-4 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.97904247, 0.0876230614, -5.70967697e-05, 1.86207763e-08, -2.37904286e-12, -1.4926771e+04, 27.8812322] - [26.4783436, 0.0324715176, -1.09678712e-05, 1.68846547e-09, -9.73849101e-14, -2.35623223e+04, -104.295327] - name: C7H14OOH2-5 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.97904247, 0.0876230614, -5.70967697e-05, 1.86207763e-08, -2.37904286e-12, -1.4926771e+04, 27.8812322] - [26.4783436, 0.0324715176, -1.09678712e-05, 1.68846547e-09, -9.73849101e-14, -2.35623223e+04, -104.295327] - name: C7H14OOH2-6 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.97904247, 0.0876230614, -5.70967697e-05, 1.86207763e-08, -2.37904286e-12, -1.4926771e+04, 27.8812322] - [26.4783436, 0.0324715176, -1.09678712e-05, 1.68846547e-09, -9.73849101e-14, -2.35623223e+04, -104.295327] - name: C7H14OOH3-1 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.783262392, 0.0958377482, -6.90031735e-05, 2.57734796e-08, -3.93245841e-12, -1.32935004e+04, 32.2410995] - [27.7319787, 0.0319075024, -1.08816708e-05, 1.68610984e-09, -9.76912162e-14, -2.25232133e+04, -112.089257] - name: C7H14OOH3-2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.37029828, 0.0895430479, -6.16372659e-05, 2.20878637e-08, -3.24866065e-12, -1.49038443e+04, 24.6535755] - [27.0174196, 0.0323668637, -1.10064699e-05, 1.70200278e-09, -9.84688459e-14, -2.34973718e+04, -107.846478] - name: C7H14OOH3-4 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.37029828, 0.0895430479, -6.16372659e-05, 2.20878637e-08, -3.24866065e-12, -1.49038443e+04, 24.6535755] - [27.0174196, 0.0323668637, -1.10064699e-05, 1.70200278e-09, -9.84688459e-14, -2.34973718e+04, -107.846478] - name: C7H14OOH3-5 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.97904247, 0.0876230614, -5.70967697e-05, 1.86207763e-08, -2.37904286e-12, -1.4926771e+04, 27.8812322] - [26.4783436, 0.0324715176, -1.09678712e-05, 1.68846547e-09, -9.73849101e-14, -2.35623223e+04, -104.295327] - name: C7H14OOH3-6 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.97904247, 0.0876230614, -5.70967697e-05, 1.86207763e-08, -2.37904286e-12, -1.4926771e+04, 27.8812322] - [26.4783436, 0.0324715176, -1.09678712e-05, 1.68846547e-09, -9.73849101e-14, -2.35623223e+04, -104.295327] - name: C7H14OOH3-7 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.783262392, 0.0958377482, -6.90031735e-05, 2.57734796e-08, -3.93245841e-12, -1.32935004e+04, 32.2410995] - [27.7319787, 0.0319075024, -1.08816708e-05, 1.68610984e-09, -9.76912162e-14, -2.25232133e+04, -112.089257] - name: C7H14OOH4-1 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.783262392, 0.0958377482, -6.90031735e-05, 2.57734796e-08, -3.93245841e-12, -1.32935004e+04, 32.2410995] - [27.7319787, 0.0319075024, -1.08816708e-05, 1.68610984e-09, -9.76912162e-14, -2.25232133e+04, -112.089257] - name: C7H14OOH4-2 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1405.0, 5000.0] data: - [1.97904247, 0.0876230614, -5.70967697e-05, 1.86207763e-08, -2.37904286e-12, -1.4926771e+04, 27.8812322] - [26.4783436, 0.0324715176, -1.09678712e-05, 1.68846547e-09, -9.73849101e-14, -2.35623223e+04, -104.295327] - name: C7H14OOH4-3 composition: {H: 15, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.37029828, 0.0895430479, -6.16372659e-05, 2.20878637e-08, -3.24866065e-12, -1.49038443e+04, 24.6535755] - [27.0174196, 0.0323668637, -1.10064699e-05, 1.70200278e-09, -9.84688459e-14, -2.34973718e+04, -107.846478] - name: C7H14O1-2 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [-5.32362173, 0.103536759, -7.88387549e-05, 3.06348713e-08, -4.76815463e-12, -2.35540552e+04, 55.3222747] - [24.3145945, 0.0305362342, -1.03132608e-05, 1.58780422e-09, -9.15904778e-14, -3.33186148e+04, -102.260982] - name: C7H14O1-3 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-8.99658143, 0.115164182, -9.39167665e-05, 3.9526917e-08, -6.68442035e-12, -2.37349113e+04, 72.1047219] - [23.2391552, 0.0318991975, -1.07865989e-05, 1.66184086e-09, -9.5901993e-14, -3.40230033e+04, -98.0085962] - name: C7H14O1-4 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-11.0425162, 0.119583872, -9.73297786e-05, 4.07542947e-08, -6.8472271e-12, -3.33740756e+04, 81.5634374] - [22.6496238, 0.0328076656, -1.10970702e-05, 1.71006751e-09, -9.87026466e-14, -4.41375876e+04, -96.3003234] - name: C7H14O1-5 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1429.0, 5000.0] data: - [-9.23164267, 0.11280118, -8.78296182e-05, 3.4812843e-08, -5.48602715e-12, -3.58292882e+04, 68.1950662] - [22.6509224, 0.0323685081, -1.07631924e-05, 1.6396008e-09, -9.38766936e-14, -4.6071625e+04, -100.525149] - name: C7H14O2-3 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-5.31868836, 0.10615804, -8.4139517e-05, 3.4079071e-08, -5.51100667e-12, -2.56598409e+04, 53.7630569] - [24.7276035, 0.0297928117, -9.97261716e-06, 1.52606375e-09, -8.76548896e-14, -3.52945321e+04, -105.104871] - name: C7H14O2-4 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-8.80206542, 0.116925403, -9.81273461e-05, 4.23712468e-08, -7.30427734e-12, -2.58674984e+04, 69.6783672] - [23.5365148, 0.0312183029, -1.04591524e-05, 1.60125267e-09, -9.1995688e-14, -3.5938194e+04, -100.150342] - name: C7H14O2-5 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-10.8488923, 0.121379949, -1.01643749e-04, 4.36787302e-08, -7.48641956e-12, -3.55071817e+04, 79.1356992] - [22.9362709, 0.0321249586, -1.0766656e-05, 1.64877736e-09, -9.47459639e-14, -4.60441457e+04, -98.3699162] - name: C7H14O2-6 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [-11.7914477, 0.124658462, -1.04127805e-04, 4.45024217e-08, -7.58843403e-12, -3.74954472e+04, 78.2418086] - [23.3853289, 0.0324477746, -1.09392447e-05, 1.6820518e-09, -9.69385365e-14, -4.85465412e+04, -106.845116] - name: C7H14O3-4 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-5.31868836, 0.10615804, -8.4139517e-05, 3.4079071e-08, -5.51100667e-12, -2.56598409e+04, 53.7630569] - [24.7276035, 0.0297928117, -9.97261716e-06, 1.52606375e-09, -8.76548896e-14, -3.52945321e+04, -105.104871] - name: C7H14O3-5 composition: {H: 14, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [-8.80206542, 0.116925403, -9.81273461e-05, 4.23712468e-08, -7.30427734e-12, -2.58674984e+04, 68.9888856] - [23.5365148, 0.0312183029, -1.04591524e-05, 1.60125267e-09, -9.1995688e-14, -3.5938194e+04, -100.839824] - name: C7H14OOH1-2O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH1-3O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH1-4O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH1-5O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH2-1O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH2-3O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH2-4O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH2-5O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH2-6O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH3-1O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH3-2O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH3-4O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH3-5O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH3-6O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH3-7O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH4-1O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.32043086, 0.102080359, -6.80665886e-05, 2.17353894e-08, -2.6114996e-12, -3.1388016e+04, 29.0263218] - [33.9461015, 0.0320348143, -1.10936268e-05, 1.73715155e-09, -1.01404253e-13, -4.26242723e+04, -141.965954] - name: C7H14OOH4-2O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H14OOH4-3O2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [2.10052868, 0.104869368, -7.84344393e-05, 3.05606489e-08, -4.86428857e-12, -3.33943428e+04, 28.6976] - [31.5622698, 0.033297903, -1.1355684e-05, 1.75955945e-09, -1.01947462e-13, -4.33174833e+04, -128.497441] - name: C7H13Q12-3 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q12-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q12-5 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q12-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q13-2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q13-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q13-5 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q13-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q13-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.89525081, 0.10461669, -7.21233992e-05, 2.40840687e-08, -3.08867509e-12, -2.33506075e+04, 32.7605224] - [34.4248733, 0.0312441717, -1.08303079e-05, 1.69706292e-09, -9.91120837e-14, -3.47650019e+04, -142.631701] - name: C7H13Q14-2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q14-3 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q14-5 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q14-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q14-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.89525081, 0.10461669, -7.21233992e-05, 2.40840687e-08, -3.08867509e-12, -2.33506075e+04, 32.7605224] - [34.4248733, 0.0312441717, -1.08303079e-05, 1.69706292e-09, -9.91120837e-14, -3.47650019e+04, -142.631701] - name: C7H13Q15-2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q15-3 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.55376575, 0.0974103166, -6.74682103e-05, 2.36573747e-08, -3.31219515e-12, -2.51150477e+04, 25.7349644] - [31.3693154, 0.0329404356, -1.12115259e-05, 1.7349281e-09, -1.0042841e-13, -3.47328736e+04, -123.673782] - name: C7H13Q15-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q15-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [2.55872874, 0.0988765291, -6.80387144e-05, 2.39672496e-08, -3.44171664e-12, -2.46878137e+04, 30.3911152] - [31.1104496, 0.0337811838, -1.16385576e-05, 1.81582953e-09, -1.05714699e-13, -3.47682853e+04, -123.52546] - name: C7H13Q15-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [1.89525081, 0.10461669, -7.21233992e-05, 2.40840687e-08, -3.08867509e-12, -2.33506075e+04, 32.7605224] - [34.4248733, 0.0312441717, -1.08303079e-05, 1.69706292e-09, -9.91120837e-14, -3.47650019e+04, -142.631701] - name: C7H13Q23-1 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.08757887, 0.105155888, -7.90124539e-05, 3.08131621e-08, -4.8998849e-12, -2.54318081e+04, 30.7326377] - [31.9365916, 0.0326878147, -1.11748567e-05, 1.73444372e-09, -1.00611702e-13, -3.54856308e+04, -128.537832] - name: C7H13Q23-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q23-5 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [3.77629806, 0.10015584, -7.38628861e-05, 2.80031971e-08, -4.26969253e-12, -2.72782158e+04, 22.7588147] - [31.7324687, 0.0320828367, -1.07959105e-05, 1.65770544e-09, -9.54361624e-14, -3.65784644e+04, -126.177142] - name: C7H13Q23-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [3.77629806, 0.10015584, -7.38628861e-05, 2.80031971e-08, -4.26969253e-12, -2.72782158e+04, 22.7588147] - [31.7324687, 0.0320828367, -1.07959105e-05, 1.65770544e-09, -9.54361624e-14, -3.65784644e+04, -126.177142] - name: C7H13Q23-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.64292424, 0.107100207, -8.19867837e-05, 3.26301624e-08, -5.28865286e-12, -2.53376189e+04, 32.6925968] - [31.8911575, 0.0326442534, -1.11416465e-05, 1.72736491e-09, -1.00122806e-13, -3.54199828e+04, -128.339693] - name: C7H13Q24-1 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.08757887, 0.105155888, -7.90124539e-05, 3.08131621e-08, -4.8998849e-12, -2.54318081e+04, 30.7326377] - [31.9365916, 0.0326878147, -1.11748567e-05, 1.73444372e-09, -1.00611702e-13, -3.54856308e+04, -128.537832] - name: C7H13Q24-3 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q24-5 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q24-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [3.77629806, 0.10015584, -7.38628861e-05, 2.80031971e-08, -4.26969253e-12, -2.72782158e+04, 22.7588147] - [31.7324687, 0.0320828367, -1.07959105e-05, 1.65770544e-09, -9.54361624e-14, -3.65784644e+04, -126.177142] - name: C7H13Q24-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.64292424, 0.107100207, -8.19867837e-05, 3.26301624e-08, -5.28865286e-12, -2.53376189e+04, 32.6925968] - [31.8911575, 0.0326442534, -1.11416465e-05, 1.72736491e-09, -1.00122806e-13, -3.54199828e+04, -128.339693] - name: C7H13Q25-1 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.08757887, 0.105155888, -7.90124539e-05, 3.08131621e-08, -4.8998849e-12, -2.54318081e+04, 30.7326377] - [31.9365916, 0.0326878147, -1.11748567e-05, 1.73444372e-09, -1.00611702e-13, -3.54856308e+04, -128.537832] - name: C7H13Q25-3 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q25-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q25-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q25-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.64292424, 0.107100207, -8.19867837e-05, 3.26301624e-08, -5.28865286e-12, -2.53376189e+04, 32.6925968] - [31.8911575, 0.0326442534, -1.11416465e-05, 1.72736491e-09, -1.00122806e-13, -3.54199828e+04, -128.339693] - name: C7H13Q26-1 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [2.08757887, 0.105155888, -7.90124539e-05, 3.08131621e-08, -4.8998849e-12, -2.54318081e+04, 30.7326377] - [31.9365916, 0.0326878147, -1.11748567e-05, 1.73444372e-09, -1.00611702e-13, -3.54856308e+04, -128.537832] - name: C7H13Q26-3 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q26-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [3.77629806, 0.10015584, -7.38628861e-05, 2.80031971e-08, -4.26969253e-12, -2.72782158e+04, 22.0693331] - [31.7324687, 0.0320828367, -1.07959105e-05, 1.65770544e-09, -9.54361624e-14, -3.65784644e+04, -126.866623] - name: C7H13Q34-1 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.64292424, 0.107100207, -8.19867837e-05, 3.26301624e-08, -5.28865286e-12, -2.53376189e+04, 32.6925968] - [31.8911575, 0.0326442534, -1.11416465e-05, 1.72736491e-09, -1.00122806e-13, -3.54199828e+04, -128.339693] - name: C7H13Q34-2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q34-5 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q34-6 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1416.0, 5000.0] data: - [3.77629806, 0.10015584, -7.38628861e-05, 2.80031971e-08, -4.26969253e-12, -2.72782158e+04, 22.7588147] - [31.7324687, 0.0320828367, -1.07959105e-05, 1.65770544e-09, -9.54361624e-14, -3.65784644e+04, -126.177142] - name: C7H13Q34-7 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.64292424, 0.107100207, -8.19867837e-05, 3.26301624e-08, -5.28865286e-12, -2.53376189e+04, 32.6925968] - [31.8911575, 0.0326442534, -1.11416465e-05, 1.72736491e-09, -1.00122806e-13, -3.54199828e+04, -128.339693] - name: C7H13Q35-1 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.64292424, 0.107100207, -8.19867837e-05, 3.26301624e-08, -5.28865286e-12, -2.53376189e+04, 32.6925968] - [31.8911575, 0.0326442534, -1.11416465e-05, 1.72736491e-09, -1.00122806e-13, -3.54199828e+04, -128.339693] - name: C7H13Q35-2 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 26.6779367] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -126.588613] - name: C7H13Q35-4 composition: {H: 15, C: 7, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [2.95741692, 0.100416665, -7.20377682e-05, 2.66760295e-08, -4.02711692e-12, -2.68680327e+04, 25.9884551] - [31.545485, 0.03303799, -1.12996215e-05, 1.75433144e-09, -1.01786375e-13, -3.67028604e+04, -127.278094] - name: C7KET12 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-2.02242043, 0.112821844, -8.98095474e-05, 3.63816839e-08, -5.94859432e-12, -4.60022679e+04, 46.831397] - [32.1223692, 0.0288333382, -9.97575694e-06, 1.56155835e-09, -9.11448835e-14, -5.73768969e+04, -134.951154] - name: C7KET13 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.41898199, 0.0914834081, -6.19852852e-05, 2.08525236e-08, -2.74537474e-12, -4.82605221e+04, 25.1567336] - [29.1813264, 0.0306159792, -1.04267352e-05, 1.61442722e-09, -9.34999392e-14, -5.76128277e+04, -118.979172] - name: C7KET14 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.41898199, 0.0914834081, -6.19852852e-05, 2.08525236e-08, -2.74537474e-12, -4.82605221e+04, 25.1567336] - [29.1813264, 0.0306159792, -1.04267352e-05, 1.61442722e-09, -9.34999392e-14, -5.76128277e+04, -118.979172] - name: C7KET15 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [2.41898199, 0.0914834081, -6.19852852e-05, 2.08525236e-08, -2.74537474e-12, -4.82605221e+04, 25.1567336] - [29.1813264, 0.0306159792, -1.04267352e-05, 1.61442722e-09, -9.34999392e-14, -5.76128277e+04, -118.979172] - name: C7KET21 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.911013275, 0.10540172, -7.90340286e-05, 2.95805586e-08, -4.39236203e-12, -4.77018288e+04, 42.7222446] - [31.4444661, 0.0282938404, -9.56190743e-06, 1.47466499e-09, -8.52261942e-14, -5.86177087e+04, -130.228931] - name: C7KET23 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-1.30311497, 0.108994337, -8.63150634e-05, 3.48894872e-08, -5.68162568e-12, -4.98340952e+04, 43.5554482] - [31.2382757, 0.0285248727, -9.65119985e-06, 1.48938978e-09, -8.61088842e-14, -6.0595249e+04, -129.479139] - name: C7KET24 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08590825, 0.0880932737, -5.96048275e-05, 2.03540139e-08, -2.74781807e-12, -5.20881665e+04, 22.0900858] - [27.8320035, 0.0310208344, -1.04056155e-05, 1.59462341e-09, -9.16859524e-14, -6.06431441e+04, -110.882439] - name: C7KET25 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08590825, 0.0880932737, -5.96048275e-05, 2.03540139e-08, -2.74781807e-12, -5.20881665e+04, 22.0900858] - [27.8320035, 0.0310208344, -1.04056155e-05, 1.59462341e-09, -9.16859524e-14, -6.06431441e+04, -110.882439] - name: C7KET26 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08590825, 0.0880932737, -5.96048275e-05, 2.03540139e-08, -2.74781807e-12, -5.20881665e+04, 22.0900858] - [27.8320035, 0.0310208344, -1.04056155e-05, 1.59462341e-09, -9.16859524e-14, -6.06431441e+04, -110.882439] - name: C7KET31 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [3.35039028, 0.0809796926, -4.44520581e-05, 9.57077658e-09, -2.16392321e-13, -4.99968138e+04, 22.684525] - [27.9601586, 0.031105837, -1.04861877e-05, 1.61318565e-09, -9.30289704e-14, -5.91317971e+04, -111.897334] - name: C7KET32 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.46488568, 0.103357179, -7.61139823e-05, 2.78751565e-08, -4.03730693e-12, -4.99658596e+04, 39.4918604] - [31.3654946, 0.028382537, -9.59763655e-06, 1.48080243e-09, -8.56069968e-14, -6.07950743e+04, -130.969387] - name: C7KET34 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.46488568, 0.103357179, -7.61139823e-05, 2.78751565e-08, -4.03730693e-12, -4.99658596e+04, 39.4918604] - [31.3654946, 0.028382537, -9.59763655e-06, 1.48080243e-09, -8.56069968e-14, -6.07950743e+04, -130.969387] - name: C7KET35 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [3.76145969, 0.0829743491, -4.97519839e-05, 1.32373155e-08, -1.0245299e-12, -5.21912207e+04, 18.815086] - [28.4100629, 0.0301275691, -1.00222243e-05, 1.52798696e-09, -8.75629841e-14, -6.10111353e+04, -114.884421] - name: C7KET36 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [3.76145969, 0.0829743491, -4.97519839e-05, 1.32373155e-08, -1.0245299e-12, -5.21912207e+04, 18.815086] - [28.4100629, 0.0301275691, -1.00222243e-05, 1.52798696e-09, -8.75629841e-14, -6.10111353e+04, -114.884421] - name: C7KET37 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [3.35039028, 0.0809796926, -4.44520581e-05, 9.57077658e-09, -2.16392321e-13, -4.99968138e+04, 22.684525] - [27.9601586, 0.031105837, -1.04861877e-05, 1.61318565e-09, -9.30289704e-14, -5.91317971e+04, -111.897334] - name: C7KET41 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [3.35039028, 0.0809796926, -4.44520581e-05, 9.57077658e-09, -2.16392321e-13, -4.99968138e+04, 22.684525] - [27.9601586, 0.031105837, -1.04861877e-05, 1.61318565e-09, -9.30289704e-14, -5.91317971e+04, -111.897334] - name: C7KET42 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [3.76145969, 0.0829743491, -4.97519839e-05, 1.32373155e-08, -1.0245299e-12, -5.21912207e+04, 18.815086] - [28.4100629, 0.0301275691, -1.00222243e-05, 1.52798696e-09, -8.75629841e-14, -6.10111353e+04, -114.884421] - name: C7KET43 composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.46488568, 0.103357179, -7.61139823e-05, 2.78751565e-08, -4.03730693e-12, -4.99658596e+04, 39.4918604] - [31.3654946, 0.028382537, -9.59763655e-06, 1.48080243e-09, -8.56069968e-14, -6.07950743e+04, -130.969387] - name: C7H13-1D3OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1394.0, 5000.0] data: - [-2.63073395, 0.108199467, -8.68167119e-05, 3.57892053e-08, -5.96251938e-12, -2.0542575e+04, 45.3776182] - [29.0779542, 0.0288652705, -9.88913645e-06, 1.53767589e-09, -8.93288885e-14, -3.0972645e+04, -122.960371] - name: C7H13-1D4OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.771397342, 0.0924620005, -6.79177709e-05, 2.6259319e-08, -4.18178337e-12, -2.27326381e+04, 30.369329] - [26.2370667, 0.0310385186, -1.0576923e-05, 1.63789319e-09, -9.4853474e-14, -3.13870058e+04, -105.71562] - name: C7H13-1D5OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.771397342, 0.0924620005, -6.79177709e-05, 2.6259319e-08, -4.18178337e-12, -2.27326381e+04, 30.369329] - [26.2370667, 0.0310385186, -1.0576923e-05, 1.63789319e-09, -9.4853474e-14, -3.13870058e+04, -105.71562] - name: C7H13-1D6OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [0.771397342, 0.0924620005, -6.79177709e-05, 2.6259319e-08, -4.18178337e-12, -2.27326381e+04, 30.369329] - [26.2370667, 0.0310385186, -1.0576923e-05, 1.63789319e-09, -9.4853474e-14, -3.13870058e+04, -105.71562] - name: C7H13-2D1OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [-0.103739963, 0.095295238, -6.91621723e-05, 2.61655996e-08, -4.09598961e-12, -2.02211307e+04, 36.2929671] - [27.6028881, 0.0304944644, -1.05308927e-05, 1.64588437e-09, -9.59461833e-14, -2.98877195e+04, -112.572059] - name: C7H13-2D4OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-1.86598369, 0.103608595, -7.99220598e-05, 3.16229589e-08, -5.06942228e-12, -2.19482737e+04, 41.4584607] - [28.7054975, 0.0290956441, -9.95173224e-06, 1.54585405e-09, -8.97456708e-14, -3.21955351e+04, -121.533069] - name: C7H13-2D5OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.56048081, 0.08789138, -6.1194646e-05, 2.22475016e-08, -3.32765732e-12, -2.41452632e+04, 26.3118291] - [25.7999207, 0.0313359785, -1.06638378e-05, 1.64987512e-09, -9.54885493e-14, -3.25697474e+04, -103.891031] - name: C7H13-2D6OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [1.56048081, 0.08789138, -6.1194646e-05, 2.22475016e-08, -3.32765732e-12, -2.41452632e+04, 26.3118291] - [25.7999207, 0.0313359785, -1.06638378e-05, 1.64987512e-09, -9.54885493e-14, -3.25697474e+04, -103.891031] - name: C7H13-2D7OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [1.21017968, 0.0855196199, -5.52653305e-05, 1.81653282e-08, -2.42677675e-12, -2.19569963e+04, 29.9229828] - [25.4707867, 0.0321318886, -1.10527598e-05, 1.7225076e-09, -1.00200663e-13, -3.07525576e+04, -101.606636] - name: C7H13-3D1OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.882027682, 0.0855388349, -5.48810116e-05, 1.78755251e-08, -2.36265653e-12, -2.18276358e+04, 31.7219563] - [25.1298151, 0.0324123329, -1.11475843e-05, 1.73711843e-09, -1.01043971e-13, -3.06454833e+04, -99.8270039] - name: C7H13-3D2OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-2.23029288, 0.103631041, -7.92640337e-05, 3.09828829e-08, -4.89738221e-12, -2.18100535e+04, 43.4531959] - [28.5979916, 0.0290024472, -9.88429804e-06, 1.53207421e-09, -8.88244781e-14, -3.21807608e+04, -121.066515] - name: C7H13-3D5OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [-2.23029288, 0.103631041, -7.92640337e-05, 3.09828829e-08, -4.89738221e-12, -2.18100535e+04, 43.4531959] - [28.5979916, 0.0290024472, -9.88429804e-06, 1.53207421e-09, -8.88244781e-14, -3.21807608e+04, -121.066515] - name: C7H13-3D6OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [1.18744278, 0.0880721168, -6.10131641e-05, 2.2069643e-08, -3.28659463e-12, -2.40081173e+04, 28.3264595] - [25.4729557, 0.0316019436, -1.07532892e-05, 1.66362284e-09, -9.62810785e-14, -3.24718124e+04, -102.199028] - name: C7H13-3D7OOH composition: {H: 14, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.882027682, 0.0855388349, -5.48810116e-05, 1.78755251e-08, -2.36265653e-12, -2.18276358e+04, 31.7219563] - [25.1298151, 0.0324123329, -1.11475843e-05, 1.73711843e-09, -1.01043971e-13, -3.06454833e+04, -99.8270039] - name: C7H13O12-3OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1423.0, 5000.0] data: - [-2.32721619, 0.110522706, -8.53554175e-05, 3.28439542e-08, -4.97162723e-12, -3.60936612e+04, 44.6258578] - [30.6568109, 0.0292778514, -9.86078739e-06, 1.51586516e-09, -8.73673279e-14, -4.68701203e+04, -130.596042] - name: C7H13O12-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1423.0, 5000.0] data: - [-2.32721619, 0.110522706, -8.53554175e-05, 3.28439542e-08, -4.97162723e-12, -3.60936612e+04, 44.6258578] - [30.6568109, 0.0292778514, -9.86078739e-06, 1.51586516e-09, -8.73673279e-14, -4.68701203e+04, -130.596042] - name: C7H13O12-5OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1423.0, 5000.0] data: - [-2.32721619, 0.110522706, -8.53554175e-05, 3.28439542e-08, -4.97162723e-12, -3.60936612e+04, 44.6258578] - [30.6568109, 0.0292778514, -9.86078739e-06, 1.51586516e-09, -8.73673279e-14, -4.68701203e+04, -130.596042] - name: C7H13O12-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1423.0, 5000.0] data: - [-2.32721619, 0.110522706, -8.53554175e-05, 3.28439542e-08, -4.97162723e-12, -3.60936612e+04, 44.6258578] - [30.6568109, 0.0292778514, -9.86078739e-06, 1.51586516e-09, -8.73673279e-14, -4.68701203e+04, -130.596042] - name: C7H13O13-2OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-5.0997294, 0.117940417, -9.3965458e-05, 3.76366993e-08, -5.96942332e-12, -3.64053536e+04, 57.2799707] - [29.5844365, 0.0305756089, -1.0298495e-05, 1.58302884e-09, -9.12273949e-14, -4.75700916e+04, -126.331319] - name: C7H13O13-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-5.0997294, 0.117940417, -9.3965458e-05, 3.76366993e-08, -5.96942332e-12, -3.64053536e+04, 57.2799707] - [29.5844365, 0.0305756089, -1.0298495e-05, 1.58302884e-09, -9.12273949e-14, -4.75700916e+04, -126.331319] - name: C7H13O13-5OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-5.0997294, 0.117940417, -9.3965458e-05, 3.76366993e-08, -5.96942332e-12, -3.64053536e+04, 57.2799707] - [29.5844365, 0.0305756089, -1.0298495e-05, 1.58302884e-09, -9.12273949e-14, -4.75700916e+04, -126.331319] - name: C7H13O13-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-5.0997294, 0.117940417, -9.3965458e-05, 3.76366993e-08, -5.96942332e-12, -3.64053536e+04, 57.2799707] - [29.5844365, 0.0305756089, -1.0298495e-05, 1.58302884e-09, -9.12273949e-14, -4.75700916e+04, -126.331319] - name: C7H13O13-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-6.07792808, 0.117208958, -8.86164334e-05, 3.28978179e-08, -4.74711308e-12, -3.40965125e+04, 64.0055015] - [29.7373561, 0.0306836196, -1.03914057e-05, 1.60356739e-09, -9.2675059e-14, -4.59445681e+04, -126.820023] - name: C7H13O14-2OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-7.38516052, 0.123530656, -9.93379244e-05, 4.01682077e-08, -6.43221166e-12, -4.60102633e+04, 67.8304029] - [28.9220143, 0.0315527403, -1.06334605e-05, 1.63510994e-09, -9.42520946e-14, -5.76473124e+04, -124.190446] - name: C7H13O14-3OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-7.38516052, 0.123530656, -9.93379244e-05, 4.01682077e-08, -6.43221166e-12, -4.60102633e+04, 67.8304029] - [28.9220143, 0.0315527403, -1.06334605e-05, 1.63510994e-09, -9.42520946e-14, -5.76473124e+04, -124.190446] - name: C7H13O14-5OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-7.38516052, 0.123530656, -9.93379244e-05, 4.01682077e-08, -6.43221166e-12, -4.60102633e+04, 67.8304029] - [28.9220143, 0.0315527403, -1.06334605e-05, 1.63510994e-09, -9.42520946e-14, -5.76473124e+04, -124.190446] - name: C7H13O14-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1420.0, 5000.0] data: - [-7.38516052, 0.123530656, -9.93379244e-05, 4.01682077e-08, -6.43221166e-12, -4.60102633e+04, 67.8304029] - [28.9220143, 0.0315527403, -1.06334605e-05, 1.63510994e-09, -9.42520946e-14, -5.76473124e+04, -124.190446] - name: C7H13O14-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1411.0, 5000.0] data: - [-9.47844518, 0.12974496, -1.08213683e-04, 4.59800558e-08, -7.79516037e-12, -4.35716314e+04, 79.3825063] - [27.8208253, 0.0328577038, -1.11593341e-05, 1.72461553e-09, -9.97496498e-14, -5.53881549e+04, -117.20473] - name: C7H13O15-2OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.62798776, 0.133413575, -1.13026808e-04, 4.84924849e-08, -8.26487244e-12, -4.78194095e+04, 73.5004874] - [28.978326, 0.0322434242, -1.093666e-05, 1.68885807e-09, -9.76309782e-14, -5.99348988e+04, -129.616717] - name: C7H13O15-3OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.62798776, 0.133413575, -1.13026808e-04, 4.84924849e-08, -8.26487244e-12, -4.78194095e+04, 73.5004874] - [28.978326, 0.0322434242, -1.093666e-05, 1.68885807e-09, -9.76309782e-14, -5.99348988e+04, -129.616717] - name: C7H13O15-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.62798776, 0.133413575, -1.13026808e-04, 4.84924849e-08, -8.26487244e-12, -4.78194095e+04, 73.5004874] - [28.978326, 0.0322434242, -1.093666e-05, 1.68885807e-09, -9.76309782e-14, -5.99348988e+04, -129.616717] - name: C7H13O15-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.62798776, 0.133413575, -1.13026808e-04, 4.84924849e-08, -8.26487244e-12, -4.78194095e+04, 73.5004874] - [28.978326, 0.0322434242, -1.093666e-05, 1.68885807e-09, -9.76309782e-14, -5.99348988e+04, -129.616717] - name: C7H13O15-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [-8.20175654, 0.124849412, -1.01351038e-04, 4.16384416e-08, -6.78332664e-12, -4.59311487e+04, 68.5988386] - [27.706846, 0.0325453847, -1.08747736e-05, 1.66236264e-09, -9.54208828e-14, -5.73018452e+04, -120.830748] - name: C7H13O23-1OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-3.48236315, 0.114929716, -9.24757732e-05, 3.75714951e-08, -6.06093263e-12, -3.5896085e+04, 50.3515097] - [30.0568523, 0.0297967943, -1.00386897e-05, 1.54327355e-09, -8.89410623e-14, -4.66455239e+04, -126.998202] - name: C7H13O23-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-2.38926773, 0.11332128, -9.05926994e-05, 3.61165874e-08, -5.65964024e-12, -3.81876031e+04, 43.3940193] - [31.2297761, 0.0284059813, -9.47956084e-06, 1.44833421e-09, -8.31213006e-14, -4.89319218e+04, -134.405365] - name: C7H13O23-5OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-2.38926773, 0.11332128, -9.05926994e-05, 3.61165874e-08, -5.65964024e-12, -3.81876031e+04, 43.3940193] - [31.2297761, 0.0284059813, -9.47956084e-06, 1.44833421e-09, -8.31213006e-14, -4.89319218e+04, -134.405365] - name: C7H13O23-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-2.38926773, 0.11332128, -9.05926994e-05, 3.61165874e-08, -5.65964024e-12, -3.81876031e+04, 43.3940193] - [31.2297761, 0.0284059813, -9.47956084e-06, 1.44833421e-09, -8.31213006e-14, -4.89319218e+04, -134.405365] - name: C7H13O23-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-3.48236315, 0.114929716, -9.24757732e-05, 3.75714951e-08, -6.06093263e-12, -3.5896085e+04, 50.3515097] - [30.0568523, 0.0297967943, -1.00386897e-05, 1.54327355e-09, -8.89410623e-14, -4.66455239e+04, -126.998202] - name: C7H13O24-1OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-5.67998134, 0.119707498, -9.67220537e-05, 3.94860496e-08, -6.40186846e-12, -3.62950216e+04, 60.3473723] - [29.1867544, 0.0309303975, -1.0423099e-05, 1.60259046e-09, -9.23672529e-14, -4.7445297e+04, -123.929207] - name: C7H13O24-3OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-5.12505465, 0.120631654, -9.92122912e-05, 4.09823768e-08, -6.68221982e-12, -3.8505523e+04, 55.8707111] - [30.08474, 0.0297514366, -9.93001694e-06, 1.51705678e-09, -8.70533351e-14, -4.95919063e+04, -129.697889] - name: C7H13O24-5OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-5.12505465, 0.120631654, -9.92122912e-05, 4.09823768e-08, -6.68221982e-12, -3.8505523e+04, 55.8707111] - [30.08474, 0.0297514366, -9.93001694e-06, 1.51705678e-09, -8.70533351e-14, -4.95919063e+04, -129.697889] - name: C7H13O24-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-5.12505465, 0.120631654, -9.92122912e-05, 4.09823768e-08, -6.68221982e-12, -3.8505523e+04, 55.8707111] - [30.08474, 0.0297514366, -9.93001694e-06, 1.51705678e-09, -8.70533351e-14, -4.95919063e+04, -129.697889] - name: C7H13O24-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-5.67998134, 0.119707498, -9.67220537e-05, 3.94860496e-08, -6.40186846e-12, -3.62950216e+04, 60.3473723] - [29.1867544, 0.0309303975, -1.0423099e-05, 1.60259046e-09, -9.23672529e-14, -4.7445297e+04, -123.929207] - name: C7H13O25-1OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1415.0, 5000.0] data: - [-9.35219725, 0.131786584, -1.1280501e-04, 4.90506384e-08, -8.46416378e-12, -4.56933874e+04, 77.2815674] - [28.1263101, 0.0321834697, -1.08370884e-05, 1.66513411e-09, -9.59194966e-14, -5.73112488e+04, -119.40046] - name: C7H13O25-3OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-7.41940814, 0.126301646, -1.04795872e-04, 4.36768367e-08, -7.18457779e-12, -4.81097554e+04, 66.4562231] - [29.3895989, 0.0307437385, -1.0267248e-05, 1.56916906e-09, -9.00663946e-14, -5.96489796e+04, -127.352802] - name: C7H13O25-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-7.41940814, 0.126301646, -1.04795872e-04, 4.36768367e-08, -7.18457779e-12, -4.81097554e+04, 66.4562231] - [29.3895989, 0.0307437385, -1.0267248e-05, 1.56916906e-09, -9.00663946e-14, -5.96489796e+04, -127.352802] - name: C7H13O25-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-7.41940814, 0.126301646, -1.04795872e-04, 4.36768367e-08, -7.18457779e-12, -4.81097554e+04, 66.4562231] - [29.3895989, 0.0307437385, -1.0267248e-05, 1.56916906e-09, -9.00663946e-14, -5.96489796e+04, -127.352802] - name: C7H13O25-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1415.0, 5000.0] data: - [-9.35219725, 0.131786584, -1.1280501e-04, 4.90506384e-08, -8.46416378e-12, -4.56933874e+04, 77.2815674] - [28.1263101, 0.0321834697, -1.08370884e-05, 1.66513411e-09, -9.59194966e-14, -5.73112488e+04, -119.40046] - name: C7H13O26-1OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-9.81319024, 0.133459969, -1.13207306e-04, 4.86930651e-08, -8.32140331e-12, -4.77700612e+04, 74.7294038] - [28.6273198, 0.0324610451, -1.09938875e-05, 1.69592937e-09, -9.79672635e-14, -5.98085835e+04, -127.42418] - name: C7H13O26-3OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-9.49984301, 0.135464135, -1.17595961e-04, 5.15396865e-08, -8.92847088e-12, -4.99422805e+04, 71.3802548] - [29.3182689, 0.0315493166, -1.06099989e-05, 1.62896879e-09, -9.37892837e-14, -6.18764814e+04, -132.025719] - name: C7H13O26-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [-9.49984301, 0.135464135, -1.17595961e-04, 5.15396865e-08, -8.92847088e-12, -4.99422805e+04, 70.6907732] - [29.3182689, 0.0315493166, -1.06099989e-05, 1.62896879e-09, -9.37892837e-14, -6.18764814e+04, -132.715201] - name: C7H13O34-1OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-3.48236315, 0.114929716, -9.24757732e-05, 3.75714951e-08, -6.06093263e-12, -3.5896085e+04, 50.3515097] - [30.0568523, 0.0297967943, -1.00386897e-05, 1.54327355e-09, -8.89410623e-14, -4.66455239e+04, -126.998202] - name: C7H13O34-2OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-2.38926773, 0.11332128, -9.05926994e-05, 3.61165874e-08, -5.65964024e-12, -3.81876031e+04, 43.3940193] - [31.2297761, 0.0284059813, -9.47956084e-06, 1.44833421e-09, -8.31213006e-14, -4.89319218e+04, -134.405365] - name: C7H13O34-5OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-2.38926773, 0.11332128, -9.05926994e-05, 3.61165874e-08, -5.65964024e-12, -3.81876031e+04, 43.3940193] - [31.2297761, 0.0284059813, -9.47956084e-06, 1.44833421e-09, -8.31213006e-14, -4.89319218e+04, -134.405365] - name: C7H13O34-6OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1430.0, 5000.0] data: - [-2.38926773, 0.11332128, -9.05926994e-05, 3.61165874e-08, -5.65964024e-12, -3.81876031e+04, 43.3940193] - [31.2297761, 0.0284059813, -9.47956084e-06, 1.44833421e-09, -8.31213006e-14, -4.89319218e+04, -134.405365] - name: C7H13O34-7OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-3.48236315, 0.114929716, -9.24757732e-05, 3.75714951e-08, -6.06093263e-12, -3.5896085e+04, 50.3515097] - [30.0568523, 0.0297967943, -1.00386897e-05, 1.54327355e-09, -8.89410623e-14, -4.66455239e+04, -126.998202] - name: C7H13O35-1OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-5.67998134, 0.119707498, -9.67220537e-05, 3.94860496e-08, -6.40186846e-12, -3.62950216e+04, 60.3473723] - [29.1867544, 0.0309303975, -1.0423099e-05, 1.60259046e-09, -9.23672529e-14, -4.7445297e+04, -123.929207] - name: C7H13O35-2OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-5.12505465, 0.120631654, -9.92122912e-05, 4.09823768e-08, -6.68221982e-12, -3.8505523e+04, 55.8707111] - [30.08474, 0.0297514366, -9.93001694e-06, 1.51705678e-09, -8.70533351e-14, -4.95919063e+04, -129.697889] - name: C7H13O35-4OOH composition: {H: 14, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [-5.12505465, 0.120631654, -9.92122912e-05, 4.09823768e-08, -6.68221982e-12, -3.8505523e+04, 55.1812295] - [30.08474, 0.0297514366, -9.93001694e-06, 1.51705678e-09, -8.70533351e-14, -4.95919063e+04, -130.387371] - name: C7KET12O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [2.14339924, 0.0814112315, -4.80755304e-05, 1.24299598e-08, -9.55786972e-13, -2.93375207e+04, 25.8408223] - [27.8249579, 0.0286775775, -1.00138821e-05, 1.57662822e-09, -9.23773712e-14, -3.89317108e+04, -114.577628] - name: C7KET13O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [2.80462854, 0.0758170916, -4.12532654e-05, 8.70139631e-09, -1.64177572e-13, -3.00690471e+04, 22.4125766] - [26.0215737, 0.0293374256, -1.0048842e-05, 1.56203531e-09, -9.07167677e-14, -3.87867271e+04, -104.825481] - name: C7KET14O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [2.80462854, 0.0758170916, -4.12532654e-05, 8.70139631e-09, -1.64177572e-13, -3.00690471e+04, 22.4125766] - [26.0215737, 0.0293374256, -1.0048842e-05, 1.56203531e-09, -9.07167677e-14, -3.87867271e+04, -104.825481] - name: C7KET15O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [2.80462854, 0.0758170916, -4.12532654e-05, 8.70139631e-09, -1.64177572e-13, -3.00690471e+04, 22.4125766] - [26.0215737, 0.0293374256, -1.0048842e-05, 1.56203531e-09, -9.07167677e-14, -3.87867271e+04, -104.825481] - name: C7KET21O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1554.0, 5000.0] data: - [7.08469593, 0.0576449309, -1.67872461e-05, -5.15289018e-09, 2.66912467e-12, -3.15428673e+04, 3.22374729] - [25.434405, 0.0295193155, -1.0051241e-05, 1.55686735e-09, -9.02141987e-14, -3.93052035e+04, -100.417355] - name: C7KET23O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [3.16633176, 0.0766586596, -4.55096741e-05, 1.2750484e-08, -1.28364522e-12, -3.32138551e+04, 21.1371718] - [25.4534371, 0.030086949, -1.03619417e-05, 1.61623343e-09, -9.40768952e-14, -4.15102413e+04, -100.51843] - name: C7KET24O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [4.04551808, 0.0728475517, -4.06939129e-05, 9.42771341e-09, -4.15988455e-13, -3.40727262e+04, 16.0209312] - [25.2611368, 0.0289653302, -9.70051521e-06, 1.4851445e-09, -8.53401253e-14, -4.18462987e+04, -99.6610355] - name: C7KET25O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [4.04551808, 0.0728475517, -4.06939129e-05, 9.42771341e-09, -4.15988455e-13, -3.40727262e+04, 16.0209312] - [25.2611368, 0.0289653302, -9.70051521e-06, 1.4851445e-09, -8.53401253e-14, -4.18462987e+04, -99.6610355] - name: C7KET26O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1424.0, 5000.0] data: - [4.04551808, 0.0728475517, -4.06939129e-05, 9.42771341e-09, -4.15988455e-13, -3.40727262e+04, 16.0209312] - [25.2611368, 0.0289653302, -9.70051521e-06, 1.4851445e-09, -8.53401253e-14, -4.18462987e+04, -99.6610355] - name: C7KET31O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [4.86648027, 0.0645174583, -2.45246679e-05, -1.77081536e-09, 2.18648284e-12, -3.20963786e+04, 13.584646] - [25.4336685, 0.0289559213, -9.73523973e-06, 1.49510786e-09, -8.6122204e-14, -4.02596015e+04, -100.920853] - name: C7KET32O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [4.2237012, 0.0702977244, -3.51511137e-05, 5.96766285e-09, 2.70620719e-13, -3.33805928e+04, 16.0319393] - [25.2474702, 0.0300387223, -1.029807e-05, 1.6015122e-09, -9.30327317e-14, -4.15079135e+04, -99.9196024] - name: C7KET34O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [4.2237012, 0.0702977244, -3.51511137e-05, 5.96766285e-09, 2.70620719e-13, -3.33805928e+04, 16.0319393] - [25.2474702, 0.0300387223, -1.029807e-05, 1.6015122e-09, -9.30327317e-14, -4.15079135e+04, -99.9196024] - name: C7KET35O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1370.0, 5000.0] data: - [4.70018599, 0.0681280965, -3.21429326e-05, 3.33860657e-09, 1.05751924e-12, -3.41777201e+04, 13.4845759] - [25.6884614, 0.028009589, -9.25680532e-06, 1.40530115e-09, -8.03019698e-14, -4.20976441e+04, -101.960623] - name: C7KET36O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1370.0, 5000.0] data: - [4.70018599, 0.0681280965, -3.21429326e-05, 3.33860657e-09, 1.05751924e-12, -3.41777201e+04, 12.7950943] - [25.6884614, 0.028009589, -9.25680532e-06, 1.40530115e-09, -8.03019698e-14, -4.20976441e+04, -102.650105] - name: C7KET37O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [4.86648027, 0.0645174583, -2.45246679e-05, -1.77081536e-09, 2.18648284e-12, -3.20963786e+04, 13.584646] - [25.4336685, 0.0289559213, -9.73523973e-06, 1.49510786e-09, -8.6122204e-14, -4.02596015e+04, -100.920853] - name: C7KET41O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [4.86648027, 0.0645174583, -2.45246679e-05, -1.77081536e-09, 2.18648284e-12, -3.20963786e+04, 13.584646] - [25.4336685, 0.0289559213, -9.73523973e-06, 1.49510786e-09, -8.6122204e-14, -4.02596015e+04, -100.920853] - name: C7KET42O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1370.0, 5000.0] data: - [4.70018599, 0.0681280965, -3.21429326e-05, 3.33860657e-09, 1.05751924e-12, -3.41777201e+04, 12.7950943] - [25.6884614, 0.028009589, -9.25680532e-06, 1.40530115e-09, -8.03019698e-14, -4.20976441e+04, -102.650105] - name: C7KET43O composition: {H: 13, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1387.0, 5000.0] data: - [4.2237012, 0.0702977244, -3.51511137e-05, 5.96766285e-09, 2.70620719e-13, -3.33805928e+04, 16.0319393] - [25.2474702, 0.0300387223, -1.029807e-05, 1.6015122e-09, -9.30327317e-14, -4.15079135e+04, -99.9196024] - name: C7Y24 composition: {H: 12, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1426.0, 5000.0] data: - [4.39764101, 0.0601180975, -2.22844519e-05, -1.91774372e-09, 2.07240091e-12, -5.3677837e+04, 15.7433051] - [23.3334638, 0.0276457299, -9.17529929e-06, 1.39740619e-09, -8.0044878e-14, -6.12241187e+04, -89.7827704] - name: C7Y13 composition: {H: 12, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1447.0, 5000.0] data: - [3.61453518, 0.064301414, -2.64063505e-05, -1.08740222e-10, 1.75733289e-12, -4.98378626e+04, 19.301861] - [24.3257239, 0.0276226853, -9.33608747e-06, 1.43914433e-09, -8.31206829e-14, -5.80087604e+04, -95.7614814] - name: C7Y35 composition: {H: 12, C: 7, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1471.0, 5000.0] data: - [3.89935666, 0.0619920452, -2.458725e-05, -3.61187603e-10, 1.67912831e-12, -5.32377873e+04, 17.4838991] - [22.9699639, 0.0287451681, -9.71038176e-06, 1.49572805e-09, -8.63256686e-14, -6.08462735e+04, -88.7044158] - name: C7H14OOH1-2O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1684.0, 5000.0] data: - [1.33099069, 0.0967180192, -5.95878979e-05, 1.67058984e-08, -1.64229299e-12, -2.98431017e+04, 31.7711823] - [28.6766807, 0.0364408431, -1.3197167e-05, 2.13690883e-09, -1.27860944e-13, -3.90828265e+04, -115.502906] - name: C7H14OOH1-3O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1684.0, 5000.0] data: - [1.33099069, 0.0967180192, -5.95878979e-05, 1.67058984e-08, -1.64229299e-12, -2.98431017e+04, 31.7711823] - [28.6766807, 0.0364408431, -1.3197167e-05, 2.13690883e-09, -1.27860944e-13, -3.90828265e+04, -115.502906] - name: C7H14OOH1-4O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1684.0, 5000.0] data: - [1.33099069, 0.0967180192, -5.95878979e-05, 1.67058984e-08, -1.64229299e-12, -2.98431017e+04, 31.7711823] - [28.6766807, 0.0364408431, -1.3197167e-05, 2.13690883e-09, -1.27860944e-13, -3.90828265e+04, -115.502906] - name: C7H14OOH1-5O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1684.0, 5000.0] data: - [1.33099069, 0.0967180192, -5.95878979e-05, 1.67058984e-08, -1.64229299e-12, -2.98431017e+04, 31.7711823] - [28.6766807, 0.0364408431, -1.3197167e-05, 2.13690883e-09, -1.27860944e-13, -3.90828265e+04, -115.502906] - name: C7H14OOH2-1O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08548854, 0.0951206736, -6.59996503e-05, 2.32444319e-08, -3.27657401e-12, -3.02456778e+04, 22.3002772] - [30.1497835, 0.032272646, -1.09797155e-05, 1.69856254e-09, -9.83026609e-14, -3.95955853e+04, -123.037063] - name: C7H14OOH2-3O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH2-4O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH2-5O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH2-6O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH3-1O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08548854, 0.0951206736, -6.59996503e-05, 2.32444319e-08, -3.27657401e-12, -3.02456778e+04, 22.3002772] - [30.1497835, 0.032272646, -1.09797155e-05, 1.69856254e-09, -9.83026609e-14, -3.95955853e+04, -123.037063] - name: C7H14OOH3-2O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH3-4O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH3-5O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH3-6O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH3-7O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08548854, 0.0951206736, -6.59996503e-05, 2.32444319e-08, -3.27657401e-12, -3.02456778e+04, 22.3002772] - [30.1497835, 0.032272646, -1.09797155e-05, 1.69856254e-09, -9.83026609e-14, -3.95955853e+04, -123.037063] - name: C7H14OOH4-1O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [3.08548854, 0.0951206736, -6.59996503e-05, 2.32444319e-08, -3.27657401e-12, -3.02456778e+04, 22.3002772] - [30.1497835, 0.032272646, -1.09797155e-05, 1.69856254e-09, -9.83026609e-14, -3.95955853e+04, -123.037063] - name: C7H14OOH4-2O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C7H14OOH4-3O composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [3.01287651, 0.0981864399, -7.25210341e-05, 2.76884286e-08, -4.27353522e-12, -3.2339171e+04, 21.0962805] - [30.280695, 0.0317579006, -1.07133963e-05, 1.64778485e-09, -9.49745325e-14, -4.14328088e+04, -124.204145] - name: C6H11O13-6 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1412.0, 5000.0] data: - [-8.55042113, 0.0993712909, -8.38485087e-05, 3.62206697e-08, -6.24312731e-12, 3953.1953, 70.6614274] - [19.4680493, 0.0255210612, -8.62688975e-06, 1.32887037e-09, -7.66797753e-14, -4825.03956, -76.645539] - name: C6H11O14-6 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1455.0, 5000.0] data: - [-7.80524702, 0.0937481232, -7.60016637e-05, 3.12611899e-08, -5.06939758e-12, -6159.64922, 66.7633621] - [18.2831468, 0.0254265745, -8.27252851e-06, 1.24123104e-09, -7.03046026e-14, -1.42244253e+04, -70.294483] - name: C6H11O15-6 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1444.0, 5000.0] data: - [-8.38439662, 0.0957209767, -7.64661564e-05, 3.08782447e-08, -4.92187508e-12, -8213.80764, 64.7980999] - [18.7856469, 0.0259182642, -8.54662736e-06, 1.29454658e-09, -7.38246342e-14, -1.67718783e+04, -78.4622939] - name: C6H11O23-1 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [-4.92079122, 0.0907221617, -7.48659944e-05, 3.12724603e-08, -5.169264e-12, 2032.86829, 52.5244419] - [20.9510264, 0.0232219824, -7.70555586e-06, 1.17228694e-09, -6.70636135e-14, -6047.0432, -83.5825137] - name: C6H11O23-6 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [-4.92079122, 0.0907221617, -7.48659944e-05, 3.12724603e-08, -5.169264e-12, 2032.86829, 52.5244419] - [20.9510264, 0.0232219824, -7.70555586e-06, 1.17228694e-09, -6.70636135e-14, -6047.0432, -83.5825137] - name: C6H11O24-1 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-8.34495598, 0.101028943, -8.78699575e-05, 3.89477222e-08, -6.83884937e-12, 1820.49644, 68.201183] - [19.7676292, 0.0248505263, -8.30594789e-06, 1.26961939e-09, -7.28648539e-14, -6748.69207, -78.8109458] - name: C6H11O24-6 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1418.0, 5000.0] data: - [-8.34495598, 0.101028943, -8.78699575e-05, 3.89477222e-08, -6.83884937e-12, 1820.49644, 68.201183] - [19.7676292, 0.0248505263, -8.30594789e-06, 1.26961939e-09, -7.28648539e-14, -6748.69207, -78.8109458] - name: C6H11O34-1 composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [-4.92079122, 0.0907221617, -7.48659944e-05, 3.12724603e-08, -5.169264e-12, 2032.86829, 52.5244419] - [20.9510264, 0.0232219824, -7.70555586e-06, 1.17228694e-09, -6.70636135e-14, -6047.0432, -83.5825137] - name: C6Y2-1J composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.75975194, 0.0642520985, -3.96352767e-05, 1.15685286e-08, -1.2013734e-12, -1.48945661e+04, 22.7202794] - [20.4383273, 0.0238253206, -8.04100895e-06, 1.23762461e-09, -7.13843846e-14, -2.16182253e+04, -78.592373] - name: C6Y3-6J composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [3.01181403, 0.0523666148, -2.00629431e-05, -1.05670148e-09, 1.64429373e-12, -1.22517682e+04, 19.6394582] - [19.31453, 0.0240496101, -7.97552707e-06, 1.21393244e-09, -6.95022464e-14, -1.87180946e+04, -71.0938989] - name: C6Y3-1J composition: {H: 11, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1428.0, 5000.0] data: - [3.01181403, 0.0523666148, -2.00629431e-05, -1.05670148e-09, 1.64429373e-12, -1.22517682e+04, 19.6394582] - [19.31453, 0.0240496101, -7.97552707e-06, 1.21393244e-09, -6.95022464e-14, -1.87180946e+04, -71.0938989] - name: C7H14-1 composition: {H: 14, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-0.809358679, 0.0789648824, -4.95897128e-05, 1.57930253e-08, -2.02821634e-12, -1.04146627e+04, 34.4853698] - [21.0516278, 0.0312760197, -1.06771829e-05, 1.65550145e-09, -9.59594932e-14, -1.83777234e+04, -84.1750939] - name: C7H14-2 composition: {H: 14, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.053895365, 0.0744295393, -4.28542682e-05, 1.17521061e-08, -1.16517055e-12, -1.18188874e+04, 30.608598] - [20.6209791, 0.0315553139, -1.07554876e-05, 1.66593057e-09, -9.64967953e-14, -1.95694445e+04, -82.3986766] - name: C7H14-3 composition: {H: 14, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.498371307, 0.0749068336, -4.3033363e-05, 1.17133021e-08, -1.13719824e-12, -1.16707063e+04, 32.956658] - [20.362101, 0.0316779587, -1.07777153e-05, 1.66742019e-09, -9.65068542e-14, -1.94856293e+04, -81.0623354] - name: C7H131-3 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1384.0, 5000.0] data: - [-0.560862522, 0.0754326016, -4.60711095e-05, 1.34950109e-08, -1.45966663e-12, 6329.9083, 33.5375654] - [21.4156908, 0.0285177236, -9.66514723e-06, 1.49210849e-09, -8.62535195e-14, -1709.79838, -86.0030226] - name: C7H131-4 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.759883219, 0.0665218933, -3.38705045e-05, 6.62244871e-09, -5.39889345e-14, 1.26842125e+04, 30.7767256] - [19.5903002, 0.0299096858, -1.01928469e-05, 1.57855426e-09, -9.14249512e-14, 5428.8426, -72.9326843] - name: C7H131-5 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.759883219, 0.0665218933, -3.38705045e-05, 6.62244871e-09, -5.39889345e-14, 1.26842125e+04, 30.7767256] - [19.5903002, 0.0299096858, -1.01928469e-05, 1.57855426e-09, -9.14249512e-14, 5428.8426, -72.9326843] - name: C7H131-6 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [0.759883219, 0.0665218933, -3.38705045e-05, 6.62244871e-09, -5.39889345e-14, 1.26842125e+04, 30.7767256] - [19.5903002, 0.0299096858, -1.01928469e-05, 1.57855426e-09, -9.14249512e-14, 5428.8426, -72.9326843] - name: C7H131-7 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1393.0, 5000.0] data: - [-0.44073673, 0.0755083258, -4.85768313e-05, 1.60730287e-08, -2.17974149e-12, 1.43050908e+04, 35.0343173] - [20.4254451, 0.029364516, -1.00400399e-05, 1.5582894e-09, -9.03875243e-14, 6757.57861, -78.0202543] - name: C7H132-4 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.372763979, 0.0727705155, -4.24262213e-05, 1.17101335e-08, -1.1562452e-12, 5155.47887, 30.9838851] - [20.2204603, 0.0298619421, -1.01919239e-05, 1.58015892e-09, -9.15931884e-14, -2524.66923, -81.4726926] - name: C7H132-5 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [1.82382661, 0.0610673441, -2.62220491e-05, 2.14472121e-09, 8.93751848e-13, 1.12216271e+04, 25.3795314] - [19.0854765, 0.0301791168, -1.02513232e-05, 1.58415277e-09, -9.16099642e-14, 4316.14862, -70.6165152] - name: C7H132-6 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [1.82382661, 0.0610673441, -2.62220491e-05, 2.14472121e-09, 8.93751848e-13, 1.12216271e+04, 25.3795314] - [19.0854765, 0.0301791168, -1.02513232e-05, 1.58415277e-09, -9.16099642e-14, 4316.14862, -70.6165152] - name: C7H132-7 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.358569522, 0.0707856603, -4.15780734e-05, 1.18775321e-08, -1.2839505e-12, 1.28940839e+04, 30.9582265] - [19.9821175, 0.0296591221, -1.01244293e-05, 1.56973641e-09, -9.09863758e-14, 5571.88959, -76.1641862] - name: C7H133-1 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.0785839985, 0.0712349539, -4.17259682e-05, 1.18251338e-08, -1.25384179e-12, 1.30410765e+04, 33.2716438] - [19.7137107, 0.0297943652, -1.01517896e-05, 1.57209319e-09, -9.104911e-14, 5660.02, -74.7727706] - name: C7H133-5 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-0.813432333, 0.0732810249, -4.26690697e-05, 1.17112103e-08, -1.13686121e-12, 5301.53685, 33.3028462] - [19.9813268, 0.0299618307, -1.02051724e-05, 1.58014428e-09, -9.15119629e-14, -2446.55429, -80.2443024] - name: C7H133-6 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [1.39520323, 0.0614606183, -2.62663084e-05, 2.02811054e-09, 9.36702991e-13, 1.13677716e+04, 27.6569852] - [18.8327779, 0.0303047716, -1.02765174e-05, 1.58631403e-09, -9.16678097e-14, 4393.01285, -69.3248547] - name: C7H133-7 composition: {H: 13, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [-0.0785839985, 0.0712349539, -4.17259682e-05, 1.18251338e-08, -1.25384179e-12, 1.30410765e+04, 33.2716438] - [19.7137107, 0.0297943652, -1.01517896e-05, 1.57209319e-09, -9.104911e-14, 5660.02, -74.7727706] - name: C7H13-1D3O composition: {H: 13, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1385.0, 5000.0] data: - [1.75836665, 0.0785031672, -5.03690559e-05, 1.6440688e-08, -2.20903728e-12, -4284.3646, 24.60221] - [24.5962638, 0.0291695918, -1.01515243e-05, 1.59445051e-09, -9.3256685e-14, -1.27137607e+04, -99.6395968] - name: C7H13-2D4O composition: {H: 13, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [2.63531821, 0.073657861, -4.33517009e-05, 1.23129314e-08, -1.34071479e-12, -5713.35565, 20.1138895] - [24.1090151, 0.0295611974, -1.02814801e-05, 1.61418484e-09, -9.43829333e-14, -1.38756865e+04, -97.5312193] - name: C7H13-3D5O composition: {H: 13, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1383.0, 5000.0] data: - [2.19575759, 0.0738969654, -4.30597626e-05, 1.19763351e-08, -1.24916735e-12, -5559.65639, 22.4865296] - [23.7587144, 0.0298416387, -1.03744412e-05, 1.62830253e-09, -9.51890868e-14, -1.3772889e+04, -95.717956] - name: C7H14OH-1J2 composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [1.21072127, 0.0832765482, -5.34939093e-05, 1.77237371e-08, -2.40178894e-12, -2.06442678e+04, 30.387969] - [23.8166116, 0.0329487814, -1.12036524e-05, 1.73236311e-09, -1.00218147e-13, -2.87703608e+04, -91.9434776] - name: C7H14OH-2J1 composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [0.816287767, 0.090857831, -6.71105637e-05, 2.63947068e-08, -4.28593595e-12, -2.15950059e+04, 29.6490882] - [25.0087998, 0.0315305124, -1.06261019e-05, 1.63312194e-09, -9.40751455e-14, -2.97161468e+04, -99.2807674] - name: C7H14OH-2J3 composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.910348667, 0.0872019493, -6.0995666e-05, 2.25368413e-08, -3.43473439e-12, -2.27001132e+04, 30.2657448] - [24.1756177, 0.032013317, -1.07458095e-05, 1.64715331e-09, -9.47106929e-14, -3.06787328e+04, -94.3545895] - name: C7H14OH-3J2 composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.910348667, 0.0872019493, -6.0995666e-05, 2.25368413e-08, -3.43473439e-12, -2.27001132e+04, 30.2657448] - [24.1756177, 0.032013317, -1.07458095e-05, 1.64715331e-09, -9.47106929e-14, -3.06787328e+04, -94.3545895] - name: C7H14OH-3J4 composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.910348667, 0.0872019493, -6.0995666e-05, 2.25368413e-08, -3.43473439e-12, -2.27001132e+04, 30.2657448] - [24.1756177, 0.032013317, -1.07458095e-05, 1.64715331e-09, -9.47106929e-14, -3.06787328e+04, -94.3545895] - name: C7H14OH-4J3 composition: {H: 15, C: 7, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.910348667, 0.0872019493, -6.0995666e-05, 2.25368413e-08, -3.43473439e-12, -2.27001132e+04, 30.2657448] - [24.1756177, 0.032013317, -1.07458095e-05, 1.64715331e-09, -9.47106929e-14, -3.06787328e+04, -94.3545895] - name: C7H14OH-1O2-2 composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [0.862497819, 0.101693666, -7.43995933e-05, 2.81050374e-08, -4.31255025e-12, -3.9699226e+04, 33.9577229] - [29.6517284, 0.0327070176, -1.11327901e-05, 1.72285104e-09, -9.97346708e-14, -4.94593269e+04, -119.933256] - name: C7H14OH-2O2-1 composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1401.0, 5000.0] data: - [0.537268604, 0.102515862, -7.6881551e-05, 3.03521838e-08, -4.92329087e-12, -3.962606e+04, 35.8384566] - [28.7755285, 0.033475029, -1.14005874e-05, 1.76476211e-09, -1.0217353e-13, -4.91233276e+04, -114.72234] - name: C7H14OH-2O2-3 composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [0.953439399, 0.104452051, -8.20570973e-05, 3.39454494e-08, -5.7165086e-12, -4.18203504e+04, 31.9524737] - [29.1474754, 0.0326332166, -1.09950902e-05, 1.68957012e-09, -9.73167191e-14, -5.09733381e+04, -117.279245] - name: C7H14OH-3O2-2 composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [0.953439399, 0.104452051, -8.20570973e-05, 3.39454494e-08, -5.7165086e-12, -4.18203504e+04, 31.9524737] - [29.1474754, 0.0326332166, -1.09950902e-05, 1.68957012e-09, -9.73167191e-14, -5.09733381e+04, -117.279245] - name: C7H14OH-3O2-4 composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [0.953439399, 0.104452051, -8.20570973e-05, 3.39454494e-08, -5.7165086e-12, -4.18203504e+04, 31.9524737] - [29.1474754, 0.0326332166, -1.09950902e-05, 1.68957012e-09, -9.73167191e-14, -5.09733381e+04, -117.279245] - name: C7H14OH-4O2-3 composition: {H: 15, C: 7, O: 3} thermo: model: NASA7 temperature-ranges: [300.0, 1407.0, 5000.0] data: - [0.953439399, 0.104452051, -8.20570973e-05, 3.39454494e-08, -5.7165086e-12, -4.18203504e+04, 31.9524737] - [29.1474754, 0.0326332166, -1.09950902e-05, 1.68957012e-09, -9.73167191e-14, -5.09733381e+04, -117.279245] - name: C5D2Y1 composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [3.69688874e-04, 0.0571382743, -4.15287925e-05, 1.58289787e-08, -2.49867087e-12, -1.87655817e+04, 27.5869712] - [16.2588601, 0.0187787531, -6.45805165e-06, 1.00641261e-09, -5.85466414e-14, -2.44023233e+04, -59.6450353] - name: C5D2Y1-1R composition: {H: 7, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1390.0, 5000.0] data: - [0.767163837, 0.0523888982, -3.85650887e-05, 1.48263722e-08, -2.35263797e-12, -236.668558, 25.0746199] - [15.8396423, 0.0166571765, -5.74155776e-06, 8.96152306e-10, -5.21898413e-14, -5439.55462, -55.7243534] - name: C3Y1-3OR composition: {H: 5, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1409.0, 5000.0] data: - [2.64167269, 0.0294283641, -1.29127845e-05, 3.88757872e-10, 7.42968763e-13, -2.4111486e+04, 18.9330066] - [12.4458641, 0.0115135588, -3.89008277e-06, 5.99667928e-10, -3.46406544e-14, -2.78997305e+04, -35.2984011] - name: C4Y1-3OR composition: {H: 7, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1417.0, 5000.0] data: - [3.94683511, 0.036598457, -1.24268392e-05, -2.56058969e-09, 1.6628819e-12, -2.13506683e+04, 11.8427218] - [16.4998473, 0.0158390093, -5.41015815e-06, 8.39905247e-10, -4.87505919e-14, -2.64232542e+04, -58.37373] - name: C6D2Y1 composition: {H: 10, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-0.269585026, 0.0698099901, -5.04217305e-05, 1.90982509e-08, -2.99716926e-12, -2.16923258e+04, 30.5709242] - [19.5305471, 0.0232320952, -7.9972199e-06, 1.24699364e-09, -7.256875e-14, -2.85719761e+04, -75.7135584] - name: C6D2Y1-1R composition: {H: 9, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [0.503660007, 0.0650190464, -4.73912739e-05, 1.80513164e-08, -2.84079598e-12, -3163.9955, 28.0316159] - [19.1108039, 0.0211064142, -7.2783819e-06, 1.13627682e-09, -6.6181888e-14, -9608.86866, -71.7888495] - name: H15DE25DM composition: {H: 14, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-1.71853441, 0.0882613783, -6.031405e-05, 2.15862289e-08, -3.19690882e-12, -1952.55748, 38.6048681] - [22.5355644, 0.0323955734, -1.10270814e-05, 1.70640907e-09, -9.87758061e-14, -1.04808866e+04, -91.9784905] - name: H15DE25DM-S composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1395.0, 5000.0] data: - [-2.04235551, 0.0866261688, -5.99110976e-05, 2.1555163e-08, -3.18976697e-12, 1.50224279e+04, 39.6917763] - [22.1422958, 0.0306966055, -1.0461738e-05, 1.62037747e-09, -9.38578511e-14, 6560.45671, -90.4059585] - name: H15DE25DM-A composition: {H: 13, C: 8} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-2.21863377, 0.0891652629, -6.33360636e-05, 2.32007379e-08, -3.46329567e-12, 1.61971179e+04, 41.511662] - [23.3282646, 0.0293694154, -9.94258906e-06, 1.53368063e-09, -8.86030202e-14, 7373.19036, -95.5902415] - name: H15DE25DM-AO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1378.0, 5000.0] data: - [3.03691957, 0.0750640438, -4.17779534e-05, 1.07915725e-08, -9.97734397e-13, 6116.4978, 20.4746031] - [25.0985951, 0.0315085628, -1.10076915e-05, 1.73332426e-09, -1.01557468e-13, -2494.65338, -101.097942] - name: H15DE25DM-SO composition: {H: 13, C: 8, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [0.930464015, 0.0871669873, -5.99582593e-05, 2.15026041e-08, -3.21687573e-12, 4193.10073, 29.0924508] - [26.0152179, 0.0304295766, -1.05676513e-05, 1.65746547e-09, -9.68470091e-14, -4795.6852, -106.442472] - name: H15DE2M-T composition: {H: 11, C: 7} thermo: model: NASA7 temperature-ranges: [300.0, 1389.0, 5000.0] data: - [0.388856066, 0.06702157, -4.29671268e-05, 1.42489875e-08, -1.96105571e-12, 3.03627273e+04, 29.5444186] - [19.0144729, 0.0261932198, -9.01183878e-06, 1.40455988e-09, -8.17075251e-14, 2.35551101e+04, -71.5568628] - name: IC4H7CHO composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1391.0, 5000.0] data: - [-1.20982776, 0.0592603375, -4.26960089e-05, 1.60356164e-08, -2.49347521e-12, -1.56205327e+04, 35.3137305] - [15.9171638, 0.0193357284, -6.70857943e-06, 1.05155191e-09, -6.14175906e-14, -2.16140735e+04, -56.7616631] - name: L-C6H4 composition: {H: 4, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [0.29590225, 0.058053318, -6.7766756e-05, 4.3376762e-08, -1.1418864e-11, 6.0001371e+04, 22.31897] - [12.715182, 0.013839662, -4.376544e-06, 3.1541636e-10, 4.6619026e-14, 5.7031148e+04, -39.4646] note: H6W/94 - name: C-C6H4 composition: {H: 4, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [-3.0991268, 0.054030564, -4.0839004e-05, 1.0738837e-08, 9.807849e-13, 5.2205711e+04, 37.415207] - [13.849209, 7.880792e-03, 1.8243836e-06, -2.1169166e-09, 3.7459977e-13, 4.744634e+04, -50.404953] note: H6W/94 - name: C6H3 composition: {H: 3, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [1.1790619, 0.05554736, -7.3076168e-05, 5.2076736e-08, -1.5046964e-11, 8.5647312e+04, 19.179199] - [5.8188343, 0.027933408, -1.7825427e-05, 5.3702536e-09, -6.1707627e-13, 8.518825e+04, -0.92147827] note: H6W/94 - name: C6H2 composition: {H: 2, C: 6} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 3000.0] data: - [-1.5932624, 0.080530145, -1.4800649e-04, 1.3300031e-07, -4.5332313e-11, 8.3273227e+04, 27.980873] - [13.226281, 7.3904302e-03, -2.2715381e-06, 2.5875217e-10, -5.5356741e-15, 8.0565258e+04, -41.201176] note: P1/93 - name: C6H6 composition: {H: 6, C: 6} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.504818632, 0.0185020642, 7.38345881e-05, -1.18135741e-07, 5.07210429e-11, 8552.47913, 21.6412893] - [11.0809576, 0.0207176746, -7.52145991e-06, 1.22320984e-09, -7.36091279e-14, 4306.41035, -40.041331] note: G6/01 - name: FULVENE composition: {H: 6, C: 6} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 5000.0] data: - [-0.71813191, 0.037934312, 1.1398837e-05, -4.1333503e-08, 1.8055927e-11, 2.4223825e+04, 27.855714] - [11.103525, 0.020600685, -7.5302224e-06, 1.2388695e-09, -7.5415976e-14, 2.0361843e+04, -36.665197] note: '0' - name: C6H5 composition: {H: 5, C: 6} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.210306633, 0.0204745507, 5.89743006e-05, -1.01534255e-07, 4.4710566e-11, 3.95468722e+04, 25.2910455] - [10.8444762, 0.0173212473, -6.29233249e-06, 1.02369961e-09, -6.16216828e-14, 3.55598475e+04, -35.3735134] note: T04/02 - name: C6H5OO composition: {H: 5, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [-2.99164672, 0.070385715, -6.34400574e-05, 2.9154892e-08, -5.30706938e-12, 1.4132024e+04, 42.0142955] - [16.7078262, 0.0162326229, -5.4796963e-06, 8.4351006e-10, -4.86562431e-14, 8142.42915, -60.8346973] note: 3/26/9THERM - name: C6H5OOH composition: {H: 6, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1404.0, 5000.0] data: - [-4.03105975, 0.0796101888, -7.21655013e-05, 3.27610696e-08, -5.85584239e-12, -3109.73017, 45.4324978] - [19.2317474, 0.0163154699, -5.53448904e-06, 8.55059974e-10, -4.9458379e-14, -1.01971012e+04, -76.1674471] note: 3/26/9THERM - name: C6H5OH composition: {H: 6, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1000.0, 5000.0] data: - [-1.6956539, 0.052271299, -7.202405e-06, -3.5859603e-08, 2.0449073e-11, -1.3284121e+04, 32.54216] - [14.912073, 0.018378135, -6.1983128e-06, 9.1983221e-10, -4.9209565e-14, -1.8375199e+04, -55.924103] note: L4/84 - name: C6H5O composition: {H: 5, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [-0.466204455, 0.0413443975, 1.32412991e-05, -5.72872769e-08, 2.89763707e-11, 4778.58391, 27.6990274] - [13.722172, 0.0174688771, -6.3550452e-06, 1.03492308e-09, -6.23410504e-14, 287.274751, -48.818168] note: T05/02 - name: C6H4OH composition: {H: 5, C: 6, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [-5.99875435, 0.0859063379, -9.12525636e-05, 4.7227589e-08, -9.35576749e-12, 1.78621926e+04, 49.9931427] - [17.318756, 0.0136366984, -4.68316332e-06, 7.29071204e-10, -4.23805358e-14, 1.14990276e+04, -68.9986593] note: 4/9/9THERM - name: OC6H4OH composition: {H: 5, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1403.0, 5000.0] data: - [-8.02205657, 0.10940321, -1.23489276e-04, 6.56286805e-08, -1.3152787e-11, -1.55949156e+04, 57.2175202] - [22.271821, 0.0121038561, -4.18429526e-06, 6.54475399e-10, -3.81746504e-14, -2.34827539e+04, -96.1035467] note: 4/9/9THERM - name: O-C6H4O2 composition: {H: 4, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [270.0, 1370.0, 3000.0] data: - [-2.36179712, 0.0686058343, -6.39129516e-05, 3.06903009e-08, -5.97357785e-12, -1.26704431e+04, 35.3724482] - [12.3614349, 0.0240491397, -1.16529057e-05, 2.71332785e-09, -2.47593219e-13, -1.67079717e+04, -40.0310857] note: AK0405 - name: P-C6H4O2 composition: {H: 4, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [270.0, 1370.0, 3000.0] data: - [-2.43170113, 0.0687937608, -6.41382837e-05, 3.08126855e-08, -5.99832072e-12, -1.65696994e+04, 34.830943] - [12.3423732, 0.024061269, -1.16565184e-05, 2.71393504e-09, -2.47643065e-13, -2.06185312e+04, -40.8244024] note: AK0405 - name: O-OC6H5OJ composition: {H: 5, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [-2.65459198, 0.0717179095, -6.31552372e-05, 2.81132946e-08, -4.97463333e-12, 6452.8315, 38.1123139] - [18.4625733, 0.0157607263, -5.44671499e-06, 8.5176576e-10, -4.96759541e-14, -172.770226, -72.8742484] note: WKM - name: P-OC6H5OJ composition: {H: 5, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1400.0, 5000.0] data: - [-3.2968329, 0.0727365977, -6.3615822e-05, 2.80683553e-08, -4.92279426e-12, 6734.02222, 40.9349895] - [18.279977, 0.0159280974, -5.5076522e-06, 8.61649836e-10, -5.02677539e-14, -62.5907994, -72.5809444] note: WKM - name: P-C6H3O2 composition: {H: 3, C: 6, O: 2} thermo: model: NASA7 temperature-ranges: [270.0, 1290.0, 3000.0] data: - [-1.57852347, 0.0655376473, -6.50308721e-05, 3.32026554e-08, -6.86665555e-12, 1.51750093e+04, 33.1518638] - [12.2963699, 0.0215055142, -1.07516136e-05, 2.57528163e-09, -2.41023652e-13, 1.15428998e+04, -37.2584002] note: AK0505 - name: C5H6 composition: {H: 6, C: 5} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.86108957, 0.014804031, 7.2108895e-05, -1.1338055e-07, 4.8689972e-11, 1.4801755e+04, 21.353453] - [9.9757848, 0.018905543, -6.8411461e-06, 1.109934e-09, -6.6680236e-14, 1.1081693e+04, -32.209454] note: T1/90 - name: C5H5 composition: {H: 5, C: 5} thermo: model: NASA7 temperature-ranges: [298.15, 969.35, 3500.0] data: - [-3.97555452, 0.0741370991, -1.11803345e-04, 9.04628776e-08, -2.80999747e-11, 3.01769405e+04, 36.7153636] - [1.33675715, 0.0324793912, -1.67587774e-05, 4.03514137e-09, -3.70739036e-13, 3.00730524e+04, 16.0315806] note: TAK0505 - name: C5H6-L composition: {H: 6, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1372.0, 5000.0] data: - [3.58448213, 0.0324459626, -1.70150991e-05, 4.22715914e-09, -4.18452556e-13, 2.76514681e+04, 9.60644208] - [12.9600892, 0.0148953758, -5.23622902e-06, 8.27916389e-10, -4.86464523e-14, 2.381808e+04, -42.5312093] note: 2/5/9THERM - name: C#CCVCCJ composition: {H: 5, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.616143558, 0.0506466579, -4.48561743e-05, 2.02459419e-08, -3.64542145e-12, 4.71532377e+04, 27.1623299] - [14.1230912, 0.011423319, -3.95851276e-06, 6.20128961e-10, -3.62097887e-14, 4.25158384e+04, -50.2942871] note: GLAR - name: C5H7 composition: {H: 7, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1377.0, 5000.0] data: - [-6.75118368, 0.0606461693, -4.01260152e-05, 1.22051562e-08, -1.33459844e-12, 2.01365277e+04, 56.2694938] - [13.6630213, 0.0168061358, -5.98746539e-06, 9.55341072e-10, -5.64951981e-14, 1.27238941e+04, -54.6331286] note: 1/22/9WKM - name: CVCCJCVC composition: {H: 7, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [-2.94595603, 0.0568783623, -4.31336497e-05, 1.68169537e-08, -2.67926433e-12, 2.35156925e+04, 39.8188778] - [14.0879309, 0.0162398907, -5.6476895e-06, 8.86857524e-10, -5.18698993e-14, 1.76798698e+04, -51.3735038] note: 3/1/95Z&B - name: CVCCVCCJ composition: {H: 7, C: 5} thermo: model: NASA7 temperature-ranges: [300.0, 1386.0, 5000.0] data: - [-1.60087476, 0.0538764703, -3.96302225e-05, 1.49599474e-08, -2.31995284e-12, 2.31199746e+04, 33.549296] - [14.7302883, 0.01590309, -5.57729508e-06, 8.80604825e-10, -5.16963733e-14, 1.74050791e+04, -54.2670706] note: Z&B - name: CVCCJCVCOH composition: {H: 7, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1397.0, 5000.0] data: - [-2.91175436, 0.0669362484, -5.71603047e-05, 2.48753749e-08, -4.33243894e-12, 1964.41523, 41.7454344] - [16.7465815, 0.015835724, -5.44954706e-06, 8.49881387e-10, -4.94743246e-14, -4309.7287, -61.9378748] note: 10/6/95Z&B - name: HOCVCCVO composition: {H: 4, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1413.0, 5000.0] data: - [-2.01837189, 0.0626539783, -6.7335928e-05, 3.39430425e-08, -6.48917648e-12, -3.31367523e+04, 31.816286] - [16.6505478, 6.11745137e-03, -2.09080785e-06, 3.24985683e-10, -1.88875073e-14, -3.82179939e+04, -63.6794754] note: 1/26/9WKM - name: CVCCVCCOH composition: {H: 8, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.531488384, 0.0606983915, -4.81499862e-05, 2.00308244e-08, -3.38987282e-12, -1.03301302e+04, 30.7961436] - [16.307967, 0.0179957763, -6.03115896e-06, 9.23992259e-10, -5.31254053e-14, -1.58204603e+04, -58.4137244] note: 1/23/9WKM - name: OC5H7O composition: {H: 7, C: 5, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1375.0, 5000.0] data: - [4.88394767, 0.04034013, -1.9777415e-05, 3.68903501e-09, -3.40202384e-14, -2.35295942e+04, 9.97070337] - [16.5416953, 0.0186677673, -6.44836048e-06, 1.00787611e-09, -5.87521858e-14, -2.82017168e+04, -54.7258181] note: 1/22/9WKM - name: OC4H6O composition: {H: 6, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1382.0, 5000.0] data: - [4.21628848, 0.0357422725, -2.04226185e-05, 5.63821367e-09, -5.88888993e-13, -3.72055911e+04, 10.281462] - [14.1894774, 0.015334551, -5.24594862e-06, 8.14655154e-10, -4.72759368e-14, -4.10001835e+04, -44.3771751] note: 1/23/9WKM - name: OC4H5O composition: {H: 5, C: 4, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1388.0, 5000.0] data: - [4.60550978, 0.0330498712, -2.13102363e-05, 7.37021089e-09, -1.08289438e-12, -1.85460831e+04, 10.1599453] - [13.2138775, 0.0137339051, -4.62639517e-06, 7.1094137e-10, -4.09538499e-14, -2.16535271e+04, -36.4185255] note: 1/23/9WKM - name: O2CCHOOJ composition: {H: 1, C: 2, O: 4} thermo: model: NASA7 temperature-ranges: [300.0, 1682.0, 5000.0] data: - [8.91497688, 8.60571847e-03, 5.24416766e-07, -2.79301331e-09, 7.62963051e-13, -3.40867754e+04, -8.72978273] - [10.9910849, 7.46985861e-03, -2.75568271e-06, 4.51353051e-10, -2.72108652e-14, -3.51335323e+04, -21.1652231] note: Z&B - name: HOCVCCJVO composition: {H: 3, C: 3, O: 2} thermo: model: NASA7 temperature-ranges: [300.0, 1414.0, 5000.0] data: - [0.607270082, 0.0496011303, -5.32300885e-05, 2.68392951e-08, -5.1309451e-12, -1.58814562e+04, 19.4817133] - [15.2720985, 5.02586331e-03, -1.68408578e-06, 2.58390706e-10, -1.48849424e-14, -1.98506828e+04, -55.4641734] note: 1/26/9WKM - name: C5H5OH composition: {H: 6, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1398.0, 5000.0] data: - [-4.26822012, 0.0662446749, -5.68494038e-05, 2.46858526e-08, -4.26820696e-12, -5755.81338, 44.796285] - [15.3433477, 0.0150754059, -5.13553582e-06, 7.95807816e-10, -4.61311517e-14, -1.19645453e+04, -58.520443] note: 5/2/91THE.M - name: C5H5O composition: {H: 5, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1392.0, 5000.0] data: - [-2.8311284, 0.0567277287, -4.44757303e-05, 1.74924447e-08, -2.76004847e-12, 2.04992154e+04, 36.9634411] - [14.8322894, 0.0140483376, -4.92302051e-06, 7.77041219e-10, -4.56103939e-14, 1.45523665e+04, -57.3228191] note: 5/16/90THERM - name: C5H4OH composition: {H: 5, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [-1.28398054, 0.0490298511, -1.35844414e-05, -2.92983743e-08, 1.90820619e-11, 6373.64803, 30.8073591] - [13.3741248, 0.0151996469, -5.45685046e-06, 8.80944866e-10, -5.27493258e-14, 2203.58027, -45.9569069] note: T8/99 - name: C5H4O composition: {H: 4, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [200.0, 1000.0, 6000.0] data: - [0.264576497, 0.0334873827, 1.6773847e-06, -2.96207455e-08, 1.54431476e-11, 5111.59287, 23.5409513] - [10.0806824, 0.0161143465, -5.83314509e-06, 9.4675932e-10, -5.68972206e-14, 1943.64771, -29.4521623] note: T8/99 - name: C5H3O composition: {H: 3, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1500.0, 3500.0] data: - [-3.03242604, 0.0543937201, -4.95018348e-05, 2.25523751e-08, -4.1072792e-12, 3.35644081e+04, 37.8374823] - [11.9961781, 0.0134287065, -5.90045309e-06, 1.22553862e-09, -9.86114716e-14, 2.8959201e+04, -40.7548249] note: TAK0905 - name: CJVCCVCCVO composition: {H: 5, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1396.0, 5000.0] data: - [-0.506628841, 0.0604671965, -5.97396749e-05, 2.96804228e-08, -5.7624001e-12, 2.42765544e+04, 28.2994148] - [16.2360823, 0.0118297101, -4.11454219e-06, 6.46026823e-10, -3.77767639e-14, 1.93499885e+04, -58.3498817] note: 2/5/9THERM - name: CVCCVCCJVO composition: {H: 5, C: 5, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1399.0, 5000.0] data: - [-0.218492198, 0.0592100223, -5.89241174e-05, 2.9741192e-08, -5.8524477e-12, 1.20600764e+04, 25.596853] - [15.3178248, 0.0127352911, -4.35882964e-06, 6.76912763e-10, -3.92771371e-14, 7605.82726, -54.3599625] note: 2/5/9THERM - name: CJVCCVO composition: {H: 3, C: 3, O: 1} thermo: model: NASA7 temperature-ranges: [300.0, 1402.0, 5000.0] data: - [1.46654466, 0.0323390476, -3.05588208e-05, 1.44081861e-08, -2.65600505e-12, 1.78850058e+04, 18.0850321] - [10.7482537, 6.19822688e-03, -2.06130981e-06, 3.14418872e-10, -1.80309517e-14, 1.51410162e+04, -30.1266033] note: 4/8/94THERM reactions: - equation: H2 + M <=> H + H + M # Reaction 1 type: three-body rate-constant: {A: 4.577e+19, b: -1.4, Ea: 1.044e+05} efficiencies: {CO2: 3.8, CO: 1.9, H2: 2.5, H2O: 12.0, CH4: 2.0, C2H6: 3.0, HE: 0.83} - equation: H2 + O <=> H + OH # Reaction 2 rate-constant: {A: 5.08e+04, b: 2.67, Ea: 6292.0} - equation: H2 + OH <=> H + H2O # Reaction 3 rate-constant: {A: 4.38e+13, b: 0.0, Ea: 6990.0} - equation: O + O + M <=> O2 + M # Reaction 4 type: three-body rate-constant: {A: 6.165e+15, b: -0.5, Ea: 0.0} efficiencies: {CO2: 3.8, CO: 1.9, H2: 2.5, H2O: 12.0, AR: 0.83, CH4: 2.0, C2H6: 3.0, HE: 0.83} - equation: O2 + H <=> O + OH # Reaction 5 rate-constant: {A: 1.04e+14, b: 0.0, Ea: 1.5286e+04} - equation: H + OH + M <=> H2O + M # Reaction 6 type: three-body rate-constant: {A: 3.5e+22, b: -2.0, Ea: 0.0} efficiencies: {H2: 0.73, C2H6: 3.0, H2O: 3.65, AR: 0.38, CH4: 2.0} - equation: O + H2O <=> OH + OH # Reaction 7 rate-constant: {A: 6.7e+07, b: 1.704, Ea: 1.49868e+04} - equation: O + H + M <=> OH + M # Reaction 8 type: three-body rate-constant: {A: 4.714e+18, b: -1.0, Ea: 0.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.5, H2O: 12.0, AR: 0.75, CH4: 2.0, C2H6: 3.0, HE: 0.75} - equation: H + O + M <=> OHV + M # Reaction 9 type: three-body rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5975.0} efficiencies: {H2: 1.0, H2O: 6.5, AR: 0.35, N2: 0.4, O2: 0.4} - equation: OHV + H2O <=> OH + H2O # Reaction 10 rate-constant: {A: 5.93e+12, b: 0.5, Ea: -860.0} - equation: OHV + H2 <=> OH + H2 # Reaction 11 rate-constant: {A: 2.95e+12, b: 0.5, Ea: -444.0} - equation: OHV + N2 <=> OH + N2 # Reaction 12 rate-constant: {A: 1.08e+11, b: 0.5, Ea: -1242.0} - equation: OHV + OH <=> OH + OH # Reaction 13 rate-constant: {A: 6.01e+12, b: 0.5, Ea: -764.0} - equation: OHV + H <=> OH + H # Reaction 14 rate-constant: {A: 1.31e+12, b: 0.5, Ea: -167.0} - equation: OHV + AR <=> OH + AR # Reaction 15 rate-constant: {A: 1.69e+12, b: 0.0, Ea: 4135.0} - equation: OHV <=> OH # Reaction 16 rate-constant: {A: 1.45e+06, b: 0.0, Ea: 0.0} - equation: OHV + O2 <=> OH + O2 # Reaction 17 rate-constant: {A: 2.1e+12, b: 0.5, Ea: -478.0} - equation: OHV + CO2 <=> OH + CO2 # Reaction 18 rate-constant: {A: 2.75e+12, b: 0.5, Ea: -968.0} - equation: OHV + CO <=> OH + CO # Reaction 19 rate-constant: {A: 3.23e+12, b: 0.5, Ea: -787.0} - equation: OHV + CH4 <=> OH + CH4 # Reaction 20 rate-constant: {A: 3.36e+12, b: 0.5, Ea: -635.0} - equation: H2O2 (+ M) <=> OH + OH (+ M) # Reaction 21 type: falloff low-P-rate-constant: {A: 2.49e+24, b: -2.3, Ea: 4.8749e+04} high-P-rate-constant: {A: 2.0e+12, b: 0.9, Ea: 4.8749e+04} Troe: {A: 0.43, T3: 1.0e-30, T1: 1.0e+30} efficiencies: {CO2: 1.6, CO: 2.8, H2O2: 7.7, H2: 3.7, H2O: 7.65, N2: 1.5, O2: 1.2, HE: 0.65} - equation: H2O2 + H <=> H2O + OH # Reaction 22 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 3970.0} - equation: H2O2 + H <=> H2 + HO2 # Reaction 23 rate-constant: {A: 2.15e+10, b: 1.0, Ea: 6000.0} - equation: H2O2 + O <=> OH + HO2 # Reaction 24 rate-constant: {A: 9.55e+06, b: 2.0, Ea: 3970.0} - equation: H2O2 + OH <=> H2O + HO2 # Reaction 25 rate-constant: {A: 1.74e+12, b: 0.0, Ea: 318.0} duplicate: true - equation: H2O2 + OH <=> H2O + HO2 # Reaction 26 rate-constant: {A: 7.59e+13, b: 0.0, Ea: 7269.0} duplicate: true - equation: HO2 + H <=> OH + OH # Reaction 27 rate-constant: {A: 7.079e+13, b: 0.0, Ea: 295.0} - equation: HO2 + H <=> H2 + O2 # Reaction 28 rate-constant: {A: 1.1402e+10, b: 1.0827, Ea: 553.78} - equation: HO2 + O <=> OH + O2 # Reaction 29 rate-constant: {A: 3.25e+13, b: 0.0, Ea: 0.0} - equation: OH + HO2 <=> H2O + O2 # Reaction 30 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1092.96} duplicate: true - equation: OH + HO2 <=> H2O + O2 # Reaction 31 rate-constant: {A: 4.5e+14, b: 0.0, Ea: 1.09296e+04} duplicate: true - equation: HO2 + HO2 <=> H2O2 + O2 # Reaction 32 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.10408832e+04} duplicate: true - equation: HO2 + HO2 <=> H2O2 + O2 # Reaction 33 rate-constant: {A: 1.9e+11, b: 0.0, Ea: -1408.9248} duplicate: true - equation: H + O2 (+ M) <=> HO2 (+ M) # Reaction 34 type: falloff low-P-rate-constant: {A: 1.737e+19, b: -1.23, Ea: 0.0} high-P-rate-constant: {A: 4.65e+12, b: 0.44, Ea: 0.0} Troe: {A: 0.67, T3: 1.0e-30, T1: 1.0e+30, T2: 1.0e+30} efficiencies: {CO2: 3.8, CO: 1.9, H2: 1.3, H2O: 10.0, AR: 0.5, CH4: 2.0, C2H6: 3.0, HE: 0.64} - equation: CO + O (+ M) <=> CO2 (+ M) # Reaction 35 type: falloff low-P-rate-constant: {A: 1.173e+24, b: -2.79, Ea: 4191.0} high-P-rate-constant: {A: 1.362e+10, b: 0.0, Ea: 2384.0} efficiencies: {CO2: 3.6, CO: 1.75, H2: 2.0, H2O: 12.0, AR: 0.7, HE: 0.7} - equation: CO + OH <=> CO2 + H # Reaction 36 rate-constant: {A: 7.015e+04, b: 2.053, Ea: -355.7} duplicate: true - equation: CO + OH <=> CO2 + H # Reaction 37 rate-constant: {A: 5.757e+12, b: -0.664, Ea: 331.8} duplicate: true - equation: CO + HO2 <=> CO2 + OH # Reaction 38 rate-constant: {A: 1.57e+05, b: 2.18, Ea: 1.794e+04} - equation: CO + O2 <=> CO2 + O # Reaction 39 rate-constant: {A: 1.119e+12, b: 0.0, Ea: 4.77e+04} - equation: H + CO2 <=> OCHO # Reaction 40 rate-constant: {A: 7.5e+13, b: 0.0, Ea: 2.9e+04} - equation: HOCO <=> CO + OH # Reaction 41 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.55e-08, b: 2.93, Ea: 8768.0} - {P: 3.0e-03 atm, A: 1770.0, b: 0.34, Ea: 1.8076e+04} - {P: 0.0296 atm, A: 2.02e+13, b: -1.87, Ea: 2.2755e+04} - {P: 0.0987 atm, A: 1.68e+18, b: -3.05, Ea: 2.4323e+04} - {P: 0.2961 atm, A: 2.5e+24, b: -4.63, Ea: 2.7067e+04} - {P: 0.9869 atm, A: 4.54e+26, b: -5.12, Ea: 2.7572e+04} - {P: 2.9607 atm, A: 7.12e+28, b: -5.6, Ea: 2.8535e+04} - {P: 9.869 atm, A: 5.48e+29, b: -5.7, Ea: 2.8899e+04} - {P: 29.607 atm, A: 9.89e+31, b: -6.19, Ea: 3.0518e+04} - {P: 98.69 atm, A: 5.74e+33, b: -6.53, Ea: 3.2068e+04} - {P: 296.07 atm, A: 2.61e+33, b: -6.29, Ea: 3.2231e+04} - {P: 986.9 atm, A: 6.3e+32, b: -5.96, Ea: 3.247e+04} - equation: HOCO <=> CO2 + H # Reaction 42 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 4.758e+18, b: -3.817, Ea: 1.7676e+04} - {P: 3.0e-03 atm, A: 2.225e+20, b: -4.149, Ea: 1.9037e+04} - {P: 9.9e-03 atm, A: 7.564e+21, b: -4.434, Ea: 2.0325e+04} - {P: 0.0296 atm, A: 9.107e+24, b: -5.189, Ea: 2.2419e+04} - {P: 0.0987 atm, A: 3.144e+29, b: -6.376, Ea: 2.5233e+04} - {P: 0.2961 atm, A: 1.15e+32, b: -7.037, Ea: 2.6662e+04} - {P: 0.9869 atm, A: 1.069e+36, b: -8.107, Ea: 2.9064e+04} - {P: 2.9607 atm, A: 2.438e+36, b: -8.153, Ea: 2.9336e+04} - {P: 9.869 atm, A: 6.663e+35, b: -7.919, Ea: 2.9217e+04} - {P: 29.607 atm, A: 1.723e+38, b: -8.506, Ea: 3.1273e+04} - {P: 98.69 atm, A: 3.007e+41, b: -9.29, Ea: 3.3966e+04} - {P: 296.07 atm, A: 6.767e+36, b: -7.832, Ea: 3.1613e+04} - {P: 986.9 atm, A: 1.897e+38, b: -8.047, Ea: 3.424e+04} - equation: CH3 + H (+ M) <=> CH4 (+ M) # Reaction 43 type: falloff low-P-rate-constant: {A: 2.477e+33, b: -4.76, Ea: 2440.0} high-P-rate-constant: {A: 1.27e+16, b: -0.63, Ea: 383.0} Troe: {A: 0.783, T3: 74.0, T1: 2941.0, T2: 6964.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: CH4 + H <=> CH3 + H2 # Reaction 44 rate-constant: {A: 6.14e+05, b: 2.5, Ea: 9587.0} - equation: CH4 + O <=> CH3 + OH # Reaction 45 rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600.0} - equation: CH4 + OH <=> CH3 + H2O # Reaction 46 rate-constant: {A: 5.83e+04, b: 2.6, Ea: 2190.0} - equation: CH4 + HO2 <=> CH3 + H2O2 # Reaction 47 rate-constant: {A: 11.3, b: 3.74, Ea: 2.101e+04} - equation: CH4 + CH3O2 <=> CH3 + CH3O2H # Reaction 48 rate-constant: {A: 0.96, b: 3.77, Ea: 1.781e+04} - equation: CH3 + HO2 <=> CH4 + O2 # Reaction 49 rate-constant: {A: 1.16e+05, b: 2.23, Ea: -3022.0} - equation: CH4 + CH2 <=> CH3 + CH3 # Reaction 50 rate-constant: {A: 2.46e+06, b: 2.0, Ea: 8270.0} - equation: CH2(S) + N2 <=> CH2 + N2 # Reaction 51 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 600.0} - equation: CH2(S) + AR <=> CH2 + AR # Reaction 52 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 600.0} - equation: CH2(S) + H2O <=> CH2 + H2O # Reaction 53 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + CO <=> CH2 + CO # Reaction 54 rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0} - equation: CH2(S) + CO2 <=> CH2 + CO2 # Reaction 55 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 0.0} - equation: CH2(S) + O2 => H + OH + CO # Reaction 56 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + O2 <=> CO + H2O # Reaction 57 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + O <=> CO + H2 # Reaction 58 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + O <=> HCO + H # Reaction 59 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + H2 <=> CH3 + H # Reaction 60 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + H <=> CH + H2 # Reaction 61 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + OH <=> CH2O + H # Reaction 62 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + CO2 <=> CH2O + CO # Reaction 63 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 0.0} - equation: CH2 + H (+ M) <=> CH3 (+ M) # Reaction 64 type: falloff low-P-rate-constant: {A: 3.2e+27, b: -3.14, Ea: 1230.0} high-P-rate-constant: {A: 2.5e+16, b: -0.8, Ea: 0.0} Troe: {A: 0.68, T3: 78.0, T1: 1995.0, T2: 5590.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: CH2 + O2 <=> HCO + OH # Reaction 65 rate-constant: {A: 1.06e+13, b: 0.0, Ea: 1500.0} - equation: CH2 + O2 => CO2 + H + H # Reaction 66 rate-constant: {A: 2.64e+12, b: 0.0, Ea: 1500.0} - equation: CH2 + O => CO + H + H # Reaction 67 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH2 + H <=> CH + H2 # Reaction 68 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH2 + OH <=> CH + H2O # Reaction 69 rate-constant: {A: 1.13e+07, b: 2.0, Ea: 3000.0} - equation: CHV + AR <=> CH + AR # Reaction 70 rate-constant: {A: 4.0e+11, b: 0.5, Ea: 0.0} - equation: CHV + H2O <=> CH + H2O # Reaction 71 rate-constant: {A: 5.3e+13, b: 0.0, Ea: 0.0} - equation: CHV + CO <=> CH + CO # Reaction 72 rate-constant: {A: 2.44e+12, b: 0.5, Ea: 0.0} - equation: CHV + CO2 <=> CH + CO2 # Reaction 73 rate-constant: {A: 0.241, b: 4.3, Ea: -1694.0} - equation: CHV + O2 <=> CH + O2 # Reaction 74 rate-constant: {A: 2.48e+06, b: 2.14, Ea: -1720.0} - equation: CHV + H2 <=> CH + H2 # Reaction 75 rate-constant: {A: 1.47e+14, b: 0.0, Ea: 1361.0} - equation: CHV + CH4 <=> CH + CH4 # Reaction 76 rate-constant: {A: 1.73e+13, b: 0.0, Ea: 167.0} - equation: CHV <=> CH # Reaction 77 rate-constant: {A: 1.86e+06, b: 0.0, Ea: 0.0} - equation: CHV + N2 <=> CH + N2 # Reaction 78 rate-constant: {A: 303.0, b: 3.4, Ea: -381.0} - equation: C + H + M <=> CHV + M # Reaction 79 type: three-body rate-constant: {A: 6.0e+14, b: 0.0, Ea: 6940.0} - equation: CH + O2 <=> CO + OHV # Reaction 80 rate-constant: {A: 4.04e+13, b: 0.0, Ea: 0.0} - equation: CH + O2 <=> HCO + O # Reaction 81 rate-constant: {A: 3.3e+13, b: 0.0, Ea: 0.0} - equation: CH + O <=> CO + H # Reaction 82 rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0} - equation: CH + H <=> C + H2 # Reaction 83 rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0} - equation: CH + OH <=> HCO + H # Reaction 84 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH + H2O <=> H + CH2O # Reaction 85 rate-constant: {A: 1.774e+16, b: -1.22, Ea: 23.8} - equation: CH + CO2 <=> HCO + CO # Reaction 86 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 685.0} - equation: C + OH <=> CO + H # Reaction 87 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C + O2 <=> CO + O # Reaction 88 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + O2 (+ M) <=> CH3O2 (+ M) # Reaction 89 type: falloff low-P-rate-constant: {A: 6.85e+24, b: -3.0, Ea: 0.0} high-P-rate-constant: {A: 7.812e+09, b: 0.9, Ea: 0.0} Troe: {A: 0.6, T3: 1000.0, T1: 70.0, T2: 1700.0} - equation: CH3 + O2 <=> CH3O + O # Reaction 90 rate-constant: {A: 7.546e+12, b: 0.0, Ea: 2.832e+04} - equation: CH3 + O2 <=> CH2O + OH # Reaction 91 rate-constant: {A: 2.641, b: 3.283, Ea: 8105.0} - equation: CH3 + O <=> CH2O + H # Reaction 92 rate-constant: {A: 5.54e+13, b: 0.05, Ea: -136.0} - equation: CH3 + OH <=> CH2(S) + H2O # Reaction 93 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.936e+14, b: -0.669, Ea: -445.8} - {P: 0.1 atm, A: 1.207e+15, b: -0.778, Ea: -175.6} - {P: 1.0 atm, A: 5.282e+17, b: -1.518, Ea: 1772.0} - {P: 10.0 atm, A: 4.788e+23, b: -3.155, Ea: 7003.0} - {P: 100.0 atm, A: 8.433e+19, b: -1.962, Ea: 8244.0} - equation: CH3 + OH <=> CH2O + H2 # Reaction 94 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.502e+05, b: 1.441, Ea: -3244.0} - {P: 0.1 atm, A: 8.854e+05, b: 1.327, Ea: -2975.0} - {P: 1.0 atm, A: 1.65e+07, b: 0.973, Ea: -2010.0} - {P: 10.0 atm, A: 5.374e+09, b: 0.287, Ea: 280.0} - {P: 100.0 atm, A: 9.494e+18, b: -2.199, Ea: 9769.0} - equation: CH3 + OH <=> CH2OH + H # Reaction 95 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.621e+10, b: 0.965, Ea: 3214.0} - {P: 0.1 atm, A: 1.807e+10, b: 0.95, Ea: 3247.0} - {P: 1.0 atm, A: 4.686e+10, b: 0.833, Ea: 3566.0} - {P: 10.0 atm, A: 1.525e+13, b: 0.134, Ea: 5641.0} - {P: 100.0 atm, A: 3.59e+14, b: -0.186, Ea: 8601.0} - equation: CH3 + OH <=> H + CH3O # Reaction 96 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.186e+09, b: 1.016, Ea: 1.194e+04} - {P: 0.1 atm, A: 1.188e+09, b: 1.016, Ea: 1.194e+04} - {P: 1.0 atm, A: 1.23e+09, b: 1.011, Ea: 1.195e+04} - {P: 10.0 atm, A: 1.798e+09, b: 0.965, Ea: 1.206e+04} - {P: 100.0 atm, A: 5.242e+10, b: 0.551, Ea: 1.307e+04} - equation: CH3 + OH <=> HCOH + H2 # Reaction 97 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.674e+08, b: 0.787, Ea: -3046.0} - {P: 0.1 atm, A: 3.115e+09, b: 0.63, Ea: -2669.0} - {P: 1.0 atm, A: 1.557e+11, b: 0.156, Ea: -1368.0} - {P: 10.0 atm, A: 1.704e+21, b: -2.641, Ea: 6412.0} - {P: 100.0 atm, A: 7.25e+20, b: -2.402, Ea: 9639.0} - equation: CH3 + OH <=> CH2 + H2O # Reaction 98 rate-constant: {A: 4.293e+04, b: 2.568, Ea: 3997.8} - equation: CH3 + HO2 <=> CH3O + OH # Reaction 99 rate-constant: {A: 1.0e+12, b: 0.269, Ea: -687.5} - equation: CH3O2 + O <=> CH3O + O2 # Reaction 100 rate-constant: {A: 3.6e+13, b: 0.0, Ea: 0.0} - equation: CH3O2 + H <=> CH3O + OH # Reaction 101 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0} - equation: CH3O2 + OH <=> CH3OH + O2 # Reaction 102 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: CH3O2 + HO2 <=> CH3O2H + O2 # Reaction 103 rate-constant: {A: 2.47e+11, b: 0.0, Ea: -1570.0} - equation: CH3O2 + H2O2 <=> CH3O2H + HO2 # Reaction 104 rate-constant: {A: 2.41e+12, b: 0.0, Ea: 9936.0} - equation: CH3O2 + CH3 <=> CH3O + CH3O # Reaction 105 rate-constant: {A: 5.08e+12, b: 0.0, Ea: -1411.0} - equation: CH3O2 + CH3O2 => CH2O + CH3OH + O2 # Reaction 106 rate-constant: {A: 3.11e+14, b: -1.61, Ea: -1051.0} - equation: CH3O2 + CH3O2 => O2 + CH3O + CH3O # Reaction 107 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: H2 + CH3O2 <=> H + CH3O2H # Reaction 108 rate-constant: {A: 1.5e+14, b: 0.0, Ea: 2.603e+04} - equation: CH3O2H <=> CH3O + OH # Reaction 109 rate-constant: {A: 6.31e+14, b: 0.0, Ea: 4.23e+04} - equation: CH2O2H <=> CH2O + OH # Reaction 110 rate-constant: {A: 9.0e+14, b: 0.0, Ea: 1500.0} - equation: CH3OH (+ M) <=> CH3 + OH (+ M) # Reaction 111 type: falloff low-P-rate-constant: {A: 1.5e+43, b: -6.995, Ea: 9.79922e+04} high-P-rate-constant: {A: 2.084e+18, b: -0.615, Ea: 9.25406e+04} Troe: {A: -0.4748, T3: 3.558e+04, T1: 1116.0, T2: 9023.0} - equation: CH3OH (+ M) <=> CH2(S) + H2O (+ M) # Reaction 112 type: falloff low-P-rate-constant: {A: 1.43e+47, b: -8.227, Ea: 9.94171e+04} high-P-rate-constant: {A: 3.121e+18, b: -1.017, Ea: 9.1712e+04} Troe: {A: 2.545, T3: 3290.0, T1: 4.732e+04, T2: 4.711e+04} - equation: CH3OH (+ M) <=> CH2OH + H (+ M) # Reaction 113 type: falloff low-P-rate-constant: {A: 3.39e+42, b: -7.244, Ea: 1.052303e+05} high-P-rate-constant: {A: 7.896e-03, b: 5.038, Ea: 8.44674e+04} Troe: {A: -73.91, T3: 3.705e+04, T1: 4.15e+04, T2: 5220.0} - equation: CH3OH + H <=> CH3O + H2 # Reaction 114 rate-constant: {A: 1.99e+05, b: 2.56, Ea: 1.03e+04} - equation: CH3OH + H <=> CH2OH + H2 # Reaction 115 rate-constant: {A: 3.07e+05, b: 2.55, Ea: 5440.0} - equation: CH3OH + O <=> CH3O + OH # Reaction 116 rate-constant: {A: 3.88e+04, b: 2.5, Ea: 3080.0} - equation: CH3OH + O <=> CH2OH + OH # Reaction 117 rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3080.0} - equation: CH3OH + OH <=> CH3O + H2O # Reaction 118 rate-constant: {A: 150.0, b: 3.03, Ea: -763.0} - equation: CH3OH + OH <=> CH2OH + H2O # Reaction 119 rate-constant: {A: 3.08e+04, b: 2.65, Ea: -806.7} - equation: CH3OH + O2 <=> CH3O + HO2 # Reaction 120 rate-constant: {A: 3.58e+04, b: 2.27, Ea: 4.27645e+04} - equation: CH3OH + O2 <=> CH2OH + HO2 # Reaction 121 rate-constant: {A: 3.58e+05, b: 2.27, Ea: 4.27645e+04} - equation: CH3OH + HO2 <=> CH3O + H2O2 # Reaction 122 rate-constant: {A: 1.22e+12, b: 0.0, Ea: 2.00707e+04} - equation: CH3OH + HO2 <=> CH2OH + H2O2 # Reaction 123 rate-constant: {A: 3.26e+13, b: 0.0, Ea: 1.87822e+04} - equation: CH3OH + CH3 <=> CH2OH + CH4 # Reaction 124 rate-constant: {A: 0.213, b: 3.953, Ea: 7055.1} - equation: CH3OH + CH3 <=> CH3O + CH4 # Reaction 125 rate-constant: {A: 3220.0, b: 2.425, Ea: 8579.5} - equation: CH3OH + HCO <=> CH2OH + CH2O # Reaction 126 rate-constant: {A: 9630.0, b: 2.9, Ea: 1.311e+04} - equation: CH3OH + CH3O <=> CH2OH + CH3OH # Reaction 127 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 4074.0} - equation: CH3OH + CH3O2 <=> CH2OH + CH3O2H # Reaction 128 rate-constant: {A: 1.81e+12, b: 0.0, Ea: 1.371e+04} - equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 129 rate-constant: {A: 1.51e+15, b: -1.0, Ea: 0.0} duplicate: true - equation: CH2OH + O2 <=> CH2O + HO2 # Reaction 130 rate-constant: {A: 2.41e+14, b: 0.0, Ea: 5017.0} duplicate: true - equation: CH2OH + H <=> CH2O + H2 # Reaction 131 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: CH2OH + HO2 <=> CH2O + H2O2 # Reaction 132 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + HCO <=> CH2O + CH2O # Reaction 133 rate-constant: {A: 1.8e+14, b: 0.0, Ea: 0.0} - equation: CH2OH + HCO <=> CH3OH + CO # Reaction 134 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + CH3O <=> CH2O + CH3OH # Reaction 135 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + OH <=> H2O + CH2O # Reaction 136 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + O <=> OH + CH2O # Reaction 137 rate-constant: {A: 4.2e+13, b: 0.0, Ea: 0.0} - equation: CH2OH + CH2OH <=> CH2O + CH3OH # Reaction 138 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: CH2OH + HO2 <=> HOCH2O + OH # Reaction 139 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH3O + O2 <=> CH2O + HO2 # Reaction 140 rate-constant: {A: 4.38e-19, b: 9.5, Ea: -5501.0} - equation: CH3O + H <=> CH2O + H2 # Reaction 141 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3O + HO2 <=> CH2O + H2O2 # Reaction 142 rate-constant: {A: 3.01e+11, b: 0.0, Ea: 0.0} - equation: CH3O + CH3 <=> CH2O + CH4 # Reaction 143 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: CH3O + CH3O <=> CH3OH + CH2O # Reaction 144 rate-constant: {A: 6.03e+13, b: 0.0, Ea: 0.0} - equation: HCOH + O2 => CO2 + H + OH # Reaction 145 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: HCOH + O2 <=> CO2 + H2O # Reaction 146 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + O => CO2 + H + H # Reaction 147 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + O => CO + OH + H # Reaction 148 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCOH + H <=> CH2O + H # Reaction 149 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0} - equation: HCOH + OH <=> HCO + H2O # Reaction 150 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + H (+ M) <=> CH2O (+ M) # Reaction 151 type: falloff low-P-rate-constant: {A: 1.35e+24, b: -2.57, Ea: 1425.0} high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260.0} Troe: {A: 0.7824, T3: 271.0, T1: 2755.0, T2: 6570.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: CO + H2 (+ M) <=> CH2O (+ M) # Reaction 152 type: falloff low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 8.4348e+04} high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 7.96e+04} Troe: {A: 0.932, T3: 197.0, T1: 1540.0, T2: 1.03e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: CH2O + O2 <=> HCO + HO2 # Reaction 153 rate-constant: {A: 8.07e+15, b: 0.0, Ea: 5.342e+04} - equation: CH2O + O <=> HCO + OH # Reaction 154 rate-constant: {A: 6.26e+09, b: 1.15, Ea: 2260.0} - equation: CH2O + H <=> HCO + H2 # Reaction 155 rate-constant: {A: 5.74e+07, b: 1.9, Ea: 2740.0} - equation: CH2O + OH <=> HCO + H2O # Reaction 156 rate-constant: {A: 7.82e+07, b: 1.63, Ea: -1055.0} - equation: CH2O + HO2 <=> HCO + H2O2 # Reaction 157 rate-constant: {A: 1.88e+04, b: 2.7, Ea: 1.152e+04} - equation: CH2O + CH3 <=> HCO + CH4 # Reaction 158 rate-constant: {A: 38.3, b: 3.36, Ea: 4312.0} - equation: CH2O + O2CHO <=> HCO + HO2CHO # Reaction 159 rate-constant: {A: 1.99e+12, b: 0.0, Ea: 1.166e+04} - equation: CH2O + OCHO <=> HCO + HOCHO # Reaction 160 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.36e+04} - equation: CH2O + CH3O <=> HCO + CH3OH # Reaction 161 rate-constant: {A: 6.62e+11, b: 0.0, Ea: 2294.0} - equation: CH2O + CH3O2 <=> HCO + CH3O2H # Reaction 162 rate-constant: {A: 1.99e+12, b: 0.0, Ea: 1.166e+04} - equation: HCO + M <=> H + CO + M # Reaction 163 type: three-body rate-constant: {A: 5.7e+11, b: 0.66, Ea: 1.487e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0} - equation: HCO + O2 <=> CO + HO2 # Reaction 164 rate-constant: {A: 7.58e+12, b: 0.0, Ea: 410.0} - equation: HCO + O <=> CO + OH # Reaction 165 rate-constant: {A: 3.02e+13, b: 0.0, Ea: 0.0} - equation: HCO + H <=> CO + H2 # Reaction 166 rate-constant: {A: 7.34e+13, b: 0.0, Ea: 0.0} - equation: HCO + OH <=> CO + H2O # Reaction 167 rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0} - equation: HCO + CH3 <=> CH4 + CO # Reaction 168 rate-constant: {A: 2.65e+13, b: 0.0, Ea: 0.0} - equation: HCO + HCO <=> CH2O + CO # Reaction 169 rate-constant: {A: 1.8e+13, b: 0.0, Ea: 0.0} - equation: HCO + O <=> CO2 + H # Reaction 170 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + HO2 => CO2 + H + OH # Reaction 171 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + HCO => H2 + CO + CO # Reaction 172 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: CH2O + H (+ M) <=> CH2OH (+ M) # Reaction 173 type: falloff low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530.0} high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600.0} Troe: {A: 0.7187, T3: 103.0, T1: 1291.0, T2: 4160.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0} - equation: CH3O (+ M) <=> CH2O + H (+ M) # Reaction 174 type: falloff low-P-rate-constant: {A: 1.867e+25, b: -3.0, Ea: 2.4307e+04} high-P-rate-constant: {A: 6.8e+13, b: 0.0, Ea: 2.617e+04} Troe: {A: 0.9, T3: 2500.0, T1: 1300.0, T2: 1.0e+99} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0} - equation: CH2O + OH <=> HOCH2O # Reaction 175 rate-constant: {A: 4.5e+15, b: -1.1, Ea: 0.0} - equation: HOCH2O <=> HOCHO + H # Reaction 176 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.49e+04} - equation: CH2O + HO2 <=> OCH2O2H # Reaction 177 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.19e+04} - equation: OCH2O2H <=> HOCH2O2 # Reaction 178 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 8600.0} - equation: HOCH2O2 + HO2 <=> HOCH2O2H + O2 # Reaction 179 rate-constant: {A: 3.5e+10, b: 0.0, Ea: -3275.0} - equation: HOCH2O + OH <=> HOCH2O2H # Reaction 180 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: HCO + O2 <=> O2CHO # Reaction 181 rate-constant: {A: 1.2e+11, b: 0.0, Ea: -1100.0} - equation: HOCHO <=> CO + H2O # Reaction 182 rate-constant: {A: 2.45e+12, b: 0.0, Ea: 6.047e+04} - equation: HOCHO <=> CO2 + H2 # Reaction 183 rate-constant: {A: 2.95e+09, b: 0.0, Ea: 4.852e+04} - equation: OCHO + HO2 <=> HOCHO + O2 # Reaction 184 rate-constant: {A: 3.5e+10, b: 0.0, Ea: -3275.0} - equation: OCHO + H2O2 <=> HOCHO + HO2 # Reaction 185 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: HOCHO + H => H2 + CO2 + H # Reaction 186 rate-constant: {A: 4.24e+06, b: 2.1, Ea: 4868.0} - equation: HOCHO + H => H2 + CO + OH # Reaction 187 rate-constant: {A: 6.03e+13, b: -0.35, Ea: 2988.0} - equation: HOCHO + O => CO + OH + OH # Reaction 188 rate-constant: {A: 1.77e+18, b: -1.9, Ea: 2975.0} - equation: HOCHO + OH => H2O + CO2 + H # Reaction 189 rate-constant: {A: 2.62e+06, b: 2.06, Ea: 916.0} - equation: HOCHO + OH => H2O + CO + OH # Reaction 190 rate-constant: {A: 1.85e+07, b: 1.51, Ea: -962.0} - equation: HOCHO + CH3 => CH4 + CO + OH # Reaction 191 rate-constant: {A: 3.9e-07, b: 5.8, Ea: 2200.0} - equation: HOCHO + HO2 => H2O2 + CO + OH # Reaction 192 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.192e+04} - equation: OCHO + OH <=> HO2CHO # Reaction 193 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + CH3 (+ M) <=> C2H6 (+ M) # Reaction 194 type: falloff low-P-rate-constant: {A: 8.054e+31, b: -3.75, Ea: 981.6} high-P-rate-constant: {A: 2.277e+15, b: -0.69, Ea: 174.9} Troe: {A: 0.0, T3: 570.0, T1: 1.0e+30, T2: 1.0e+30} efficiencies: {H2O: 5.0, CO2: 3.0, CO: 2.0} - equation: C2H5 + H (+ M) <=> C2H6 (+ M) # Reaction 195 type: falloff low-P-rate-constant: {A: 1.99e+41, b: -7.08, Ea: 6685.0} high-P-rate-constant: {A: 5.21e+17, b: -0.99, Ea: 1580.0} Troe: {A: 0.842, T3: 125.0, T1: 2219.0, T2: 6882.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: C2H6 + O2 <=> C2H5 + HO2 # Reaction 196 rate-constant: {A: 6.03e+13, b: 0.0, Ea: 5.187e+04} - equation: C2H6 + O <=> C2H5 + OH # Reaction 197 rate-constant: {A: 3.55e+06, b: 2.4, Ea: 5830.0} - equation: C2H6 + H <=> C2H5 + H2 # Reaction 198 rate-constant: {A: 1.15e+08, b: 1.9, Ea: 7530.0} - equation: C2H6 + OH <=> C2H5 + H2O # Reaction 199 rate-constant: {A: 1.48e+07, b: 1.9, Ea: 950.0} - equation: C2H6 + HO2 <=> C2H5 + H2O2 # Reaction 200 rate-constant: {A: 34.6, b: 3.61, Ea: 1.692e+04} - equation: C2H6 + CH <=> C2H5 + CH2 # Reaction 201 rate-constant: {A: 1.1e+14, b: 0.0, Ea: -260.0} - equation: C2H6 + CH2(S) <=> C2H5 + CH3 # Reaction 202 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 0.0} - equation: C2H6 + CH3 <=> C2H5 + CH4 # Reaction 203 rate-constant: {A: 5.55e-04, b: 4.72, Ea: 3231.0} - equation: C2H6 + CH3O <=> C2H5 + CH3OH # Reaction 204 rate-constant: {A: 2.41e+11, b: 0.0, Ea: 7090.0} - equation: C2H6 + CH3O2 <=> C2H5 + CH3O2H # Reaction 205 rate-constant: {A: 19.4, b: 3.64, Ea: 1.71e+04} - equation: C2H6 + C2H5O2 <=> C2H5 + C2H5O2H # Reaction 206 rate-constant: {A: 8.6, b: 3.76, Ea: 1.72e+04} - equation: C2H4 + H (+ M) <=> C2H5 (+ M) # Reaction 207 type: falloff low-P-rate-constant: {A: 1.419e+39, b: -6.642, Ea: 5769.0} high-P-rate-constant: {A: 9.569e+08, b: 1.463, Ea: 1355.0} Troe: {A: -0.569, T3: 299.0, T1: -9147.0, T2: 152.4} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C2H5 + H <=> C2H4 + H2 # Reaction 208 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C2H4 + C2H4 <=> C2H5 + C2H3 # Reaction 209 rate-constant: {A: 4.82e+14, b: 0.0, Ea: 7.153e+04} - equation: C2H5 + CH3 <=> CH4 + C2H4 # Reaction 210 rate-constant: {A: 1.18e+04, b: 2.45, Ea: -2921.0} - equation: C2H5 + O <=> CH3CHO + H # Reaction 211 rate-constant: {A: 1.1e+14, b: 0.0, Ea: 0.0} - equation: C2H5 + HO2 <=> C2H5O + OH # Reaction 212 rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + CH3O2 <=> C2H5O + CH3O # Reaction 213 rate-constant: {A: 8.0e+12, b: 0.0, Ea: -1000.0} - equation: CH3 + CH3 <=> H + C2H5 # Reaction 214 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.74e+12, b: 0.105, Ea: 1.06643e+04} - {P: 0.1 atm, A: 2.57e+13, b: -0.096, Ea: 1.14061e+04} - {P: 1.0 atm, A: 3.1e+14, b: -0.362, Ea: 1.33725e+04} - {P: 10.0 atm, A: 2.15e+10, b: 0.885, Ea: 1.35325e+04} - {P: 100.0 atm, A: 103.2, b: 3.23, Ea: 1.12361e+04} - equation: C2H5 + O2 <=> C2H5O2 # Reaction 215 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 3.398e+53, b: -13.9, Ea: 9279.0} - {P: 1.0 atm, A: 9.362e+59, b: -15.28, Ea: 1.424e+04} - {P: 10.0 atm, A: 1.262e+60, b: -14.91, Ea: 1.624e+04} - equation: C2H5 + O2 <=> C2H4O2H # Reaction 216 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 2.103e+34, b: -9.01, Ea: 5444.0} - {P: 1.0 atm, A: 4.884e+33, b: -8.31, Ea: 7710.0} - {P: 10.0 atm, A: 1.705e+45, b: -11.49, Ea: 1.459e+04} - equation: C2H5 + O2 <=> C2H4 + HO2 # Reaction 217 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 2.094e+09, b: 0.49, Ea: -391.4} - {P: 1.0 atm, A: 1.843e+07, b: 1.13, Ea: -720.6} - {P: 10.0 atm, A: 7.561e+14, b: -1.01, Ea: 4749.0} - equation: C2H5 + O2 <=> C2H4O1-2 + OH # Reaction 218 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 1303.0, b: 1.93, Ea: -502.7} - {P: 1.0 atm, A: 243.8, b: 2.18, Ea: -62.5} - {P: 10.0 atm, A: 4.621e+09, b: 0.15, Ea: 5409.0} - equation: C2H5 + O2 <=> CH3CHO + OH # Reaction 219 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 4.908e-06, b: 4.76, Ea: 254.3} - {P: 1.0 atm, A: 0.06803, b: 3.57, Ea: 2643.0} - {P: 10.0 atm, A: 826.5, b: 2.41, Ea: 5285.0} - equation: C2H4O2H <=> C2H5O2 # Reaction 220 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 2.653e-16, b: 6.96, Ea: 2396.0} - {P: 1.0 atm, A: 1.064e+41, b: -10.1, Ea: 2.603e+04} - {P: 10.0 atm, A: 1.203e+36, b: -8.13, Ea: 2.702e+04} - equation: C2H5O2 <=> CH3CHO + OH # Reaction 221 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 1.237e+35, b: -9.42, Ea: 3.636e+04} - {P: 1.0 atm, A: 1.687e+36, b: -9.22, Ea: 3.87e+04} - {P: 10.0 atm, A: 2.52e+41, b: -10.2, Ea: 4.371e+04} - equation: C2H5O2 <=> C2H4 + HO2 # Reaction 222 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 1.782e+32, b: -7.1, Ea: 3.284e+04} - {P: 1.0 atm, A: 2.701e+37, b: -8.47, Ea: 3.584e+04} - {P: 10.0 atm, A: 1.98e+38, b: -8.46, Ea: 3.79e+04} - equation: C2H5O2 <=> C2H4O1-2 + OH # Reaction 223 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 5.778e+45, b: -11.9, Ea: 4112.0} - {P: 1.0 atm, A: 1.916e+43, b: -10.75, Ea: 4.24e+04} - {P: 10.0 atm, A: 3.965e+43, b: -10.46, Ea: 4.558e+04} - equation: C2H4O2H <=> C2H4O1-2 + OH # Reaction 224 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 8.959e+38, b: -9.4, Ea: 2.066e+04} - {P: 1.0 atm, A: 1.224e+37, b: -8.32, Ea: 2.146e+04} - {P: 10.0 atm, A: 8.848e+30, b: -6.08, Ea: 2.066e+04} - equation: C2H4O2H <=> C2H4 + HO2 # Reaction 225 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 3.918e+40, b: -10.2, Ea: 2.225e+04} - {P: 1.0 atm, A: 6.825e+40, b: -9.61, Ea: 2.384e+04} - {P: 10.0 atm, A: 3.98e+34, b: -7.25, Ea: 2.325e+04} - equation: C2H4O2H <=> CH3CHO + OH # Reaction 226 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.04 atm, A: 5.819e+26, b: -7.97, Ea: 2.086e+04} - {P: 1.0 atm, A: 5.52e+34, b: -9.88, Ea: 2.623e+04} - {P: 10.0 atm, A: 1.188e+34, b: -9.02, Ea: 2.921e+04} - equation: H2 + C2H5O2 <=> H + C2H5O2H # Reaction 227 rate-constant: {A: 1.5e+14, b: 0.0, Ea: 2.603e+04} - equation: C2H5O2 + HO2 <=> C2H5O2H + O2 # Reaction 228 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: C2H5O2 + CH2O <=> C2H5O2H + HCO # Reaction 229 rate-constant: {A: 1.99e+12, b: 0.0, Ea: 1.166e+04} - equation: C2H5O2 + CH4 <=> C2H5O2H + CH3 # Reaction 230 rate-constant: {A: 1.81e+11, b: 0.0, Ea: 1.848e+04} - equation: C2H5O2 + CH3OH <=> C2H5O2H + CH2OH # Reaction 231 rate-constant: {A: 1.81e+12, b: 0.0, Ea: 1.371e+04} - equation: C2H5O2H <=> C2H5O + OH # Reaction 232 rate-constant: {A: 6.31e+14, b: 0.0, Ea: 4.23e+04} - equation: C2H4O1-2 <=> CH3 + HCO # Reaction 233 rate-constant: {A: 3.63e+13, b: 0.0, Ea: 5.72e+04} - equation: C2H4O1-2 <=> CH3CHO # Reaction 234 rate-constant: {A: 7.407e+12, b: 0.0, Ea: 5.38e+04} - equation: C2H4O1-2 + H <=> C2H3O1-2 + H2 # Reaction 235 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 9680.0} - equation: C2H4O1-2 + OH <=> C2H3O1-2 + H2O # Reaction 236 rate-constant: {A: 1.78e+13, b: 0.0, Ea: 3610.0} - equation: C2H4O1-2 + HO2 <=> C2H3O1-2 + H2O2 # Reaction 237 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: C2H4O1-2 + CH3 <=> C2H3O1-2 + CH4 # Reaction 238 rate-constant: {A: 1.07e+12, b: 0.0, Ea: 1.183e+04} - equation: C2H4O1-2 + CH3O <=> C2H3O1-2 + CH3OH # Reaction 239 rate-constant: {A: 1.2e+11, b: 0.0, Ea: 6750.0} - equation: C2H4O1-2 + CH3O2 <=> C2H3O1-2 + CH3O2H # Reaction 240 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: C2H4O1-2 + C2H5O2 <=> C2H3O1-2 + C2H5O2H # Reaction 241 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: C2H3O1-2 <=> CH3CO # Reaction 242 rate-constant: {A: 8.5e+14, b: 0.0, Ea: 1.4e+04} - equation: C2H3O1-2 <=> CH2CHO # Reaction 243 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.4e+04} - equation: C2H3 + H (+ M) <=> C2H4 (+ M) # Reaction 244 type: falloff low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320.0} high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280.0} Troe: {A: 0.782, T3: 207.5, T1: 2663.0, T2: 6095.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: C2H4 (+ M) <=> H2 + H2CC (+ M) # Reaction 245 type: falloff low-P-rate-constant: {A: 7.0e+50, b: -9.31, Ea: 9.986e+04} high-P-rate-constant: {A: 8.0e+12, b: 0.44, Ea: 8.877e+04} Troe: {A: 0.7345, T3: 180.0, T1: 1035.0, T2: 5417.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C2H4 + O2 <=> C2H3 + HO2 # Reaction 246 rate-constant: {A: 4.22e+13, b: 0.0, Ea: 5.76231e+04} - equation: C2H4 + H <=> C2H3 + H2 # Reaction 247 rate-constant: {A: 5.07e+07, b: 1.93, Ea: 1.295e+04} - equation: C2H4 + OH <=> C2H3 + H2O # Reaction 248 rate-constant: {A: 2.23e+04, b: 2.745, Ea: 2215.5} - equation: C2H4 + CH3O <=> C2H3 + CH3OH # Reaction 249 rate-constant: {A: 1.2e+11, b: 0.0, Ea: 6750.0} - equation: C2H4 + CH3O2 <=> C2H3 + CH3O2H # Reaction 250 rate-constant: {A: 8.59, b: 3.754, Ea: 2.7132e+04} - equation: C2H4 + C2H5O2 <=> C2H3 + C2H5O2H # Reaction 251 rate-constant: {A: 8.59, b: 3.754, Ea: 2.7132e+04} - equation: C2H4 + CH3CO3 <=> C2H3 + CH3CO3H # Reaction 252 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: C2H4 + CH3 <=> C2H3 + CH4 # Reaction 253 rate-constant: {A: 976.0, b: 2.947, Ea: 1.5148e+04} duplicate: true - equation: C2H4 + CH3 <=> C2H3 + CH4 # Reaction 254 rate-constant: {A: 8.13e-05, b: 4.417, Ea: 8835.8} duplicate: true - equation: C2H4 + O <=> CH3 + HCO # Reaction 255 rate-constant: {A: 7.453e+06, b: 1.88, Ea: 183.0} - equation: C2H4 + O <=> CH2CHO + H # Reaction 256 rate-constant: {A: 6.098e+06, b: 1.88, Ea: 183.0} - equation: CH + CH4 <=> C2H4 + H # Reaction 257 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: CH2(S) + CH3 <=> C2H4 + H # Reaction 258 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C2H4 + OH <=> CH3 + CH2O # Reaction 259 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.35, b: 2.92, Ea: -1732.7} - {P: 0.025 atm, A: 31.9, b: 2.71, Ea: -1172.3} - {P: 0.1 atm, A: 555.0, b: 2.36, Ea: -180.8} - {P: 1.0 atm, A: 1.78e+05, b: 1.68, Ea: 2060.5} - {P: 10.0 atm, A: 2.37e+09, b: 0.56, Ea: 6006.7} - {P: 100.0 atm, A: 2.76e+13, b: -0.5, Ea: 1.14551e+04} - equation: C2H4 + OH <=> CH3CHO + H # Reaction 260 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.37e-07, b: 5.3, Ea: -2050.6} - {P: 0.025 atm, A: 8.73e-05, b: 4.57, Ea: -618.0} - {P: 0.1 atm, A: 0.403, b: 3.54, Ea: 1881.7} - {P: 1.0 atm, A: 0.0238, b: 3.91, Ea: 1722.7} - {P: 10.0 atm, A: 8.25e+08, b: 1.01, Ea: 1.05073e+04} - {P: 100.0 atm, A: 6.8e+09, b: 0.81, Ea: 1.38673e+04} - equation: C2H4 + OH <=> C2H3OH + H # Reaction 261 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.04e+04, b: 2.6, Ea: 4121.0} - {P: 0.025 atm, A: 1.07e+04, b: 2.6, Ea: 4129.0} - {P: 0.1 atm, A: 1.52e+04, b: 2.56, Ea: 4238.3} - {P: 1.0 atm, A: 3.19e+05, b: 2.19, Ea: 5255.6} - {P: 10.0 atm, A: 1.94e+08, b: 1.43, Ea: 7828.8} - {P: 100.0 atm, A: 8.55e+10, b: 0.75, Ea: 1.14908e+04} - equation: C2H4 + OH <=> PC2H4OH # Reaction 262 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.74e+43, b: -10.461, Ea: 7698.7} - {P: 0.025 atm, A: 3.25e+37, b: -8.629, Ea: 5214.7} - {P: 0.1 atm, A: 1.84e+35, b: -7.75, Ea: 4908.9} - {P: 1.0 atm, A: 2.56e+36, b: -7.752, Ea: 6946.1} - {P: 10.0 atm, A: 3.7e+33, b: -6.573, Ea: 7605.9} - {P: 100.0 atm, A: 1.12e+26, b: -4.101, Ea: 5757.0} - equation: C2H4 + HO2 <=> C2H4O1-2 + OH # Reaction 263 rate-constant: {A: 3.345e+12, b: 0.0, Ea: 1.719e+04} - equation: C2H4 + CH3O2 <=> C2H4O1-2 + CH3O # Reaction 264 rate-constant: {A: 2.82e+12, b: 0.0, Ea: 1.711e+04} - equation: C2H4 + C2H5O2 <=> C2H4O1-2 + C2H5O # Reaction 265 rate-constant: {A: 2.82e+12, b: 0.0, Ea: 1.711e+04} - equation: C2H2 + H (+ M) <=> C2H3 (+ M) # Reaction 266 type: falloff low-P-rate-constant: {A: 6.346e+31, b: -4.664, Ea: 3780.0} high-P-rate-constant: {A: 1.71e+10, b: 1.266, Ea: 2709.0} Troe: {A: 0.788, T3: -1.02e+04, T1: 1.0e-30} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: C2H3 + O2 <=> C2H3OO # Reaction 267 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.55e+24, b: -5.45, Ea: 9662.0} - {P: 0.1 atm, A: 3.48e+56, b: -15.01, Ea: 1.916e+04} - {P: 0.316 atm, A: 1.25e+64, b: -16.97, Ea: 2.129e+04} - {P: 1.0 atm, A: 3.34e+61, b: -15.79, Ea: 2.015e+04} - {P: 3.16 atm, A: 7.34e+53, b: -13.11, Ea: 1.73e+04} - {P: 10.0 atm, A: 4.16e+48, b: -11.21, Ea: 1.6e+04} - {P: 31.6 atm, A: 2.33e+43, b: -9.38, Ea: 1.481e+04} - {P: 100.0 atm, A: 3.41e+39, b: -8.04, Ea: 1.436e+04} - equation: C2H3 + O2 <=> C2H3OO # Reaction 268 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.78e-09, b: 4.15, Ea: -4707.0} - {P: 0.1 atm, A: 2.36e+22, b: -4.52, Ea: 2839.0} - {P: 0.316 atm, A: 2.0e+26, b: -5.43, Ea: 2725.0} - {P: 1.0 atm, A: 6.13e+28, b: -5.89, Ea: 3154.0} - {P: 3.16 atm, A: 2.14e+29, b: -5.8, Ea: 3520.0} - {P: 10.0 atm, A: 3.48e+28, b: -5.37, Ea: 3636.0} - {P: 31.6 atm, A: 3.32e+27, b: -4.95, Ea: 3610.0} - {P: 100.0 atm, A: 1.03e+27, b: -4.72, Ea: 3680.0} - equation: C2H3 + O2 <=> CHCHO + OH # Reaction 269 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 3.91e+11, b: -0.11, Ea: 2131.0} - {P: 0.1 atm, A: 1.13e+09, b: 0.55, Ea: 46.0} - {P: 0.316 atm, A: 8.46e+08, b: 0.56, Ea: 0.7} - {P: 1.0 atm, A: 2.75e+14, b: -1.83, Ea: 4.6} - {P: 3.16 atm, A: 2.58e+20, b: -2.84, Ea: 7530.0} - {P: 10.0 atm, A: 9.18e+14, b: -2.26, Ea: -0.4} - {P: 31.6 atm, A: 6.11e+25, b: -4.21, Ea: 1.305e+04} - {P: 100.0 atm, A: 1.65e+30, b: -5.35, Ea: 1.843e+04} - equation: C2H3 + O2 <=> CHCHO + OH # Reaction 270 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 9.91e+11, b: -0.66, Ea: -0.6} - {P: 0.1 atm, A: 6.94e+14, b: -1.16, Ea: 4542.0} - {P: 0.316 atm, A: 2.79e+13, b: -0.72, Ea: 3479.0} - {P: 1.0 atm, A: 4.99e+11, b: -0.14, Ea: 1995.0} - {P: 3.16 atm, A: 2.35e+10, b: 0.23, Ea: 1573.0} - {P: 10.0 atm, A: 1.7e+14, b: -0.82, Ea: 4450.0} - {P: 31.6 atm, A: 1.42e+11, b: 0.05, Ea: 3774.0} - {P: 100.0 atm, A: 3.17e+11, b: -0.02, Ea: 5338.0} - equation: C2H3 + O2 <=> CH2CHO + O # Reaction 271 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 7.88e+20, b: -2.67, Ea: 6742.0} - {P: 0.1 atm, A: 7.72e+20, b: -2.67, Ea: 6713.0} - {P: 0.316 atm, A: 9.87e+20, b: -2.7, Ea: 6724.0} - {P: 1.0 atm, A: 7.1e+20, b: -2.65, Ea: 6489.0} - {P: 3.16 atm, A: 4.5e+20, b: -2.53, Ea: 6406.0} - {P: 10.0 atm, A: 1.76e+23, b: -3.22, Ea: 8697.0} - {P: 31.6 atm, A: 3.14e+25, b: -3.77, Ea: 1.153e+04} - {P: 100.0 atm, A: 1.02e+26, b: -3.8, Ea: 1.391e+04} - equation: C2H3 + O2 <=> CH2CHO + O # Reaction 272 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.36e+10, b: 0.62, Ea: -277.6} - {P: 0.1 atm, A: 1.42e+10, b: 0.62, Ea: -247.7} - {P: 0.316 atm, A: 1.66e+10, b: 0.6, Ea: -162.5} - {P: 1.0 atm, A: 2.02e+10, b: 0.58, Ea: 38.4} - {P: 3.16 atm, A: 9.75e+09, b: 0.67, Ea: 248.0} - {P: 10.0 atm, A: 7.34e+09, b: 0.72, Ea: 778.1} - {P: 31.6 atm, A: 1.57e+09, b: 0.92, Ea: 1219.0} - {P: 100.0 atm, A: 7.85e+07, b: 1.28, Ea: 1401.0} - equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 273 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.08e+07, b: 1.28, Ea: 3322.0} - {P: 0.1 atm, A: 7.75e+06, b: 1.33, Ea: 3216.0} - {P: 0.316 atm, A: 1.21e+07, b: 1.27, Ea: 3311.0} - {P: 1.0 atm, A: 2.15e+07, b: 1.19, Ea: 3367.0} - {P: 3.16 atm, A: 1.13e+08, b: 1.0, Ea: 3695.0} - {P: 10.0 atm, A: 1.31e+11, b: 0.12, Ea: 5872.0} - {P: 31.6 atm, A: 1.19e+09, b: 0.82, Ea: 5617.0} - {P: 100.0 atm, A: 1.06e+17, b: -1.45, Ea: 1.223e+04} - equation: C2H3 + O2 <=> C2H2 + HO2 # Reaction 274 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 47.6, b: 2.75, Ea: -796.4} - {P: 0.1 atm, A: 51.6, b: 2.73, Ea: -768.3} - {P: 0.316 atm, A: 55.5, b: 2.73, Ea: -658.5} - {P: 1.0 atm, A: 46.0, b: 2.76, Ea: -492.8} - {P: 3.16 atm, A: 3.75, b: 3.07, Ea: -601.0} - {P: 10.0 atm, A: 5.48, b: 3.07, Ea: 85.7} - {P: 31.6 atm, A: 4.47e+08, b: 0.0, Ea: 955.0} - {P: 100.0 atm, A: 20.2, b: 2.94, Ea: 1847.0} - equation: C2H3 + O2 <=> CHOCHO + H # Reaction 275 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.79e+14, b: -1.03, Ea: 912.0} - {P: 0.1 atm, A: 5.03e+14, b: -1.04, Ea: 922.5} - {P: 0.316 atm, A: 6.43e+14, b: -1.07, Ea: 982.9} - {P: 1.0 atm, A: 3.73e+15, b: -1.29, Ea: 1441.0} - {P: 3.16 atm, A: 2.44e+18, b: -2.13, Ea: 3234.0} - {P: 10.0 atm, A: 1.3e+15, b: -1.09, Ea: 2393.0} - {P: 31.6 atm, A: 3.57e+33, b: -6.5, Ea: 1.491e+04} - {P: 100.0 atm, A: 3.28e+31, b: -5.76, Ea: 1.625e+04} - equation: C2H3 + O2 <=> CHOCHO + H # Reaction 276 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.8e-04, b: 4.04, Ea: -7019.0} - {P: 0.1 atm, A: 3.45e-04, b: 4.01, Ea: -6978.0} - {P: 0.316 atm, A: 9.73e-04, b: 3.89, Ea: -6768.0} - {P: 1.0 atm, A: 0.498, b: 3.15, Ea: -5496.0} - {P: 3.16 atm, A: 1.34e+05, b: 1.67, Ea: -2931.0} - {P: 10.0 atm, A: 4.5e+15, b: -3.08, Ea: -4836.0} - {P: 31.6 atm, A: 3.84e+10, b: 0.22, Ea: 941.3} - {P: 100.0 atm, A: 2.75e+08, b: 0.83, Ea: 857.6} - equation: C2H3 + O2 <=> CH2CO + OH # Reaction 277 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 866.0, b: 2.41, Ea: 6061.0} - {P: 0.1 atm, A: 891.0, b: 2.41, Ea: 6078.0} - {P: 0.316 atm, A: 943.0, b: 2.4, Ea: 6112.0} - {P: 1.0 atm, A: 1060.0, b: 2.39, Ea: 6180.0} - {P: 3.16 atm, A: 1090.0, b: 2.38, Ea: 6179.0} - {P: 10.0 atm, A: 1390.0, b: 2.36, Ea: 6074.0} - {P: 31.6 atm, A: 2.49e+06, b: 1.42, Ea: 8480.0} - {P: 100.0 atm, A: 1.66e+10, b: 0.36, Ea: 1.201e+04} - equation: C2H3 + O2 <=> CH2CO + OH # Reaction 278 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 0.182, b: 3.12, Ea: 1331.0} - {P: 0.1 atm, A: 0.207, b: 3.11, Ea: 1383.0} - {P: 0.316 atm, A: 0.271, b: 3.08, Ea: 1496.0} - {P: 1.0 atm, A: 0.526, b: 3.01, Ea: 1777.0} - {P: 3.16 atm, A: 1.37, b: 2.9, Ea: 2225.0} - {P: 10.0 atm, A: 0.419, b: 2.93, Ea: 2052.0} - {P: 31.6 atm, A: 1.19e-04, b: 4.21, Ea: 2043.0} - {P: 100.0 atm, A: 1.3e-03, b: 3.97, Ea: 3414.0} - equation: C2H3 + O2 <=> CH2O + HCO # Reaction 279 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.49e+36, b: -7.6, Ea: 1.264e+04} - {P: 0.1 atm, A: 2.43e+36, b: -7.6, Ea: 1.261e+04} - {P: 0.316 atm, A: 1.95e+36, b: -7.57, Ea: 1.249e+04} - {P: 1.0 atm, A: 2.73e+35, b: -7.32, Ea: 1.182e+04} - {P: 3.16 atm, A: 1.43e+36, b: -7.47, Ea: 1.246e+04} - {P: 10.0 atm, A: 5.18e+35, b: -7.2, Ea: 1.343e+04} - {P: 31.6 atm, A: 3.19e+20, b: -2.57, Ea: 5578.0} - {P: 100.0 atm, A: 2.73e+33, b: -6.28, Ea: 1.6e+04} - equation: C2H3 + O2 <=> CH2O + HCO # Reaction 280 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.54e+15, b: -1.28, Ea: 515.3} - {P: 0.1 atm, A: 4.59e+15, b: -1.28, Ea: 513.0} - {P: 0.316 atm, A: 4.81e+15, b: -1.29, Ea: 520.6} - {P: 1.0 atm, A: 6.08e+15, b: -1.31, Ea: 645.7} - {P: 3.16 atm, A: 9.45e+15, b: -1.36, Ea: 1066.0} - {P: 10.0 atm, A: 2.56e+15, b: -1.18, Ea: 1429.0} - {P: 31.6 atm, A: 1.03e+69, b: -19.23, Ea: 1.476e+04} - {P: 100.0 atm, A: 4.21e+10, b: 0.19, Ea: 830.6} - equation: C2H3 + O2 => CH2O + H + CO # Reaction 281 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 5.82e+36, b: -7.6, Ea: 1.264e+04} - {P: 0.1 atm, A: 5.66e+36, b: -7.6, Ea: 1.261e+04} - {P: 0.316 atm, A: 4.55e+36, b: -7.57, Ea: 1.249e+04} - {P: 1.0 atm, A: 6.36e+35, b: -7.32, Ea: 1.182e+04} - {P: 3.16 atm, A: 3.35e+36, b: -7.47, Ea: 1.246e+04} - {P: 10.0 atm, A: 1.21e+36, b: -7.2, Ea: 1.343e+04} - {P: 31.6 atm, A: 7.43e+20, b: -2.57, Ea: 5578.0} - {P: 100.0 atm, A: 6.36e+33, b: -6.28, Ea: 1.6e+04} - equation: C2H3 + O2 => CH2O + H + CO # Reaction 282 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.06e+16, b: -1.28, Ea: 515.3} - {P: 0.1 atm, A: 1.07e+16, b: -1.28, Ea: 513.0} - {P: 0.316 atm, A: 1.13e+16, b: -1.29, Ea: 520.6} - {P: 1.0 atm, A: 1.42e+16, b: -1.31, Ea: 645.7} - {P: 3.16 atm, A: 2.2e+16, b: -1.36, Ea: 1066.0} - {P: 10.0 atm, A: 5.98e+15, b: -1.18, Ea: 1429.0} - {P: 31.6 atm, A: 2.39e+69, b: -19.23, Ea: 1.476e+04} - {P: 100.0 atm, A: 9.81e+10, b: 0.19, Ea: 830.6} - equation: C2H3 + O2 <=> CO + CH3O # Reaction 283 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 8.19e+18, b: -2.66, Ea: 3201.0} - {P: 0.1 atm, A: 4.06e+14, b: -1.32, Ea: 885.8} - {P: 0.316 atm, A: 4.34e+14, b: -1.33, Ea: 900.6} - {P: 1.0 atm, A: 1.03e+11, b: -0.33, Ea: -747.8} - {P: 3.16 atm, A: 1.89e+12, b: -3.0, Ea: -8995.0} - {P: 10.0 atm, A: 1.93e+24, b: -5.63, Ea: 1.8} - {P: 31.6 atm, A: 1.1e+18, b: -2.22, Ea: 5178.0} - {P: 100.0 atm, A: 5.79e+32, b: -6.45, Ea: 1.681e+04} - equation: C2H3 + O2 <=> CO + CH3O # Reaction 284 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.29e+09, b: 0.18, Ea: -1717.0} - {P: 0.1 atm, A: 5.99e+11, b: -2.93, Ea: -9564.0} - {P: 0.316 atm, A: 2.91e+11, b: -2.93, Ea: -1.012e+04} - {P: 1.0 atm, A: 5.77e+21, b: -3.54, Ea: 4772.0} - {P: 3.16 atm, A: 4.99e+15, b: -1.62, Ea: 1849.0} - {P: 10.0 atm, A: 9.33e+16, b: -1.96, Ea: 3324.0} - {P: 31.6 atm, A: 1.02e+72, b: -20.69, Ea: 1.586e+04} - {P: 100.0 atm, A: 1.1e+09, b: 0.31, Ea: 1024.0} - equation: C2H3 + O2 <=> CO2 + CH3 # Reaction 285 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.37e+35, b: -7.76, Ea: 1.263e+04} - {P: 0.1 atm, A: 1.73e+35, b: -7.72, Ea: 1.252e+04} - {P: 0.316 atm, A: 4.47e+34, b: -7.55, Ea: 1.214e+04} - {P: 1.0 atm, A: 7.25e+31, b: -6.7, Ea: 1.044e+04} - {P: 3.16 atm, A: 3.63e+35, b: -7.75, Ea: 1.283e+04} - {P: 10.0 atm, A: 2.09e+35, b: -7.53, Ea: 1.405e+04} - {P: 31.6 atm, A: 3.84e+18, b: -2.44, Ea: 5408.0} - {P: 100.0 atm, A: 1.21e+32, b: -6.32, Ea: 1.619e+04} - equation: C2H3 + O2 <=> CO2 + CH3 # Reaction 286 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 6.27e+13, b: -1.16, Ea: 406.3} - {P: 0.1 atm, A: 6.24e+13, b: -1.16, Ea: 401.4} - {P: 0.316 atm, A: 6.12e+13, b: -1.16, Ea: 397.0} - {P: 1.0 atm, A: 5.32e+13, b: -1.14, Ea: 446.7} - {P: 3.16 atm, A: 1.45e+14, b: -1.26, Ea: 987.7} - {P: 10.0 atm, A: 5.02e+13, b: -1.11, Ea: 1409.0} - {P: 31.6 atm, A: 1.4e+70, b: -20.11, Ea: 1.543e+04} - {P: 100.0 atm, A: 9.21e+08, b: 0.25, Ea: 855.3} - equation: C2H3OO <=> CHCHO + OH # Reaction 287 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 3.64e+49, b: -12.13, Ea: 6.742e+04} - {P: 0.1 atm, A: 1.44e+36, b: -9.92, Ea: 4.122e+04} - {P: 0.316 atm, A: 4.18e+40, b: -10.53, Ea: 4.367e+04} - {P: 1.0 atm, A: 3.79e+46, b: -10.72, Ea: 5.19e+04} - {P: 3.16 atm, A: 1.6e+49, b: -11.24, Ea: 5.415e+04} - {P: 10.0 atm, A: 2.38e+51, b: -11.64, Ea: 5.698e+04} - {P: 31.6 atm, A: 2.0e+54, b: -12.22, Ea: 6.184e+04} - {P: 100.0 atm, A: 9.54e+195, b: -52.27, Ea: 1.635e+05} - equation: C2H3OO <=> CHCHO + OH # Reaction 288 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.17e+56, b: -14.81, Ea: 6.07e+04} - {P: 0.1 atm, A: 2.32e+40, b: -9.39, Ea: 5.042e+04} - {P: 0.316 atm, A: 1.61e+43, b: -9.99, Ea: 5.029e+04} - {P: 1.0 atm, A: 2.33e+124, b: -36.77, Ea: 7.01e+04} - {P: 3.16 atm, A: 1.88e+103, b: -29.49, Ea: 6.541e+04} - {P: 10.0 atm, A: 5.96e+86, b: -23.81, Ea: 6.217e+04} - {P: 31.6 atm, A: 1.51e+57, b: -13.94, Ea: 5.539e+04} - {P: 100.0 atm, A: 1.79e+34, b: -6.4, Ea: 5.0e+04} - equation: C2H3OO <=> CH2CHO + O # Reaction 289 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.7e+180, b: -48.19, Ea: 1.693e+05} - {P: 0.1 atm, A: 3.9e+38, b: -8.69, Ea: 4.277e+04} - {P: 0.316 atm, A: 4.57e+47, b: -11.21, Ea: 4.705e+04} - {P: 1.0 atm, A: 7.62e+81, b: -21.28, Ea: 6.508e+04} - {P: 3.16 atm, A: 1.86e+68, b: -16.83, Ea: 6.068e+04} - {P: 10.0 atm, A: 2.02e+55, b: -12.69, Ea: 5.584e+04} - {P: 31.6 atm, A: 1.11e+53, b: -11.79, Ea: 5.669e+04} - {P: 100.0 atm, A: 4.3e+48, b: -10.31, Ea: 5.609e+04} - equation: C2H3OO <=> CH2CHO + O # Reaction 290 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.47e+30, b: -6.64, Ea: 4.111e+04} - {P: 0.1 atm, A: 9.65e-12, b: 5.96, Ea: 2.289e+04} - {P: 0.316 atm, A: 3.95e+22, b: -3.71, Ea: 3.627e+04} - {P: 1.0 atm, A: 2.39e+33, b: -6.62, Ea: 4.128e+04} - {P: 3.16 atm, A: 6.37e+31, b: -5.96, Ea: 4.126e+04} - {P: 10.0 atm, A: 2.13e+29, b: -5.1, Ea: 4.071e+04} - {P: 31.6 atm, A: 4.66e+27, b: -4.5, Ea: 4.053e+04} - {P: 100.0 atm, A: 5.99e+25, b: -3.85, Ea: 4.012e+04} - equation: C2H3OO <=> CHOCHO + H # Reaction 291 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 6.41e+80, b: -22.2, Ea: 5.175e+04} - {P: 0.1 atm, A: 3.31e+65, b: -17.01, Ea: 4.809e+04} - {P: 0.316 atm, A: 5.98e+51, b: -12.62, Ea: 4.3e+04} - {P: 1.0 atm, A: 1.48e+44, b: -10.12, Ea: 4.079e+04} - {P: 3.16 atm, A: 1.26e+59, b: -14.33, Ea: 5.139e+04} - {P: 10.0 atm, A: 4.93e+26, b: -4.67, Ea: 3.432e+04} - {P: 31.6 atm, A: 2.06e+33, b: -6.38, Ea: 3.952e+04} - {P: 100.0 atm, A: 1.3e+32, b: -5.92, Ea: 4.066e+04} - equation: C2H3OO <=> CHOCHO + H # Reaction 292 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.19e+28, b: -6.01, Ea: 2.874e+04} - {P: 0.1 atm, A: 1.4e+25, b: -4.8, Ea: 2.894e+04} - {P: 0.316 atm, A: 2.91e+20, b: -3.29, Ea: 2.755e+04} - {P: 1.0 atm, A: 1.58e+19, b: -2.82, Ea: 2.762e+04} - {P: 3.16 atm, A: 1.93e+22, b: -3.54, Ea: 2.998e+04} - {P: 10.0 atm, A: 7.51e+29, b: -5.75, Ea: 3.449e+04} - {P: 31.6 atm, A: 7.14e+61, b: -16.16, Ea: 4.328e+04} - {P: 100.0 atm, A: 1.14e+19, b: -2.56, Ea: 2.967e+04} - equation: C2H3OO <=> CH2CO + OH # Reaction 293 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.15e+47, b: -12.28, Ea: 7.533e+04} - {P: 0.1 atm, A: 8.43e+09, b: -2.06, Ea: 3.372e+04} - {P: 0.316 atm, A: 6.06e+04, b: 0.17, Ea: 3.422e+04} - {P: 1.0 atm, A: 1.51e+19, b: -3.61, Ea: 4.306e+04} - {P: 3.16 atm, A: 2.13e+33, b: -7.39, Ea: 5.161e+04} - {P: 10.0 atm, A: 4.44e+36, b: -7.99, Ea: 5.468e+04} - {P: 31.6 atm, A: 1.19e+37, b: -7.8, Ea: 5.646e+04} - {P: 100.0 atm, A: 9.08e+35, b: -7.21, Ea: 5.755e+04} - equation: C2H3OO <=> CH2CO + OH # Reaction 294 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 231.0, b: -0.73, Ea: 2.571e+04} - {P: 0.1 atm, A: 1.83e-23, b: 7.84, Ea: 2.019e+04} - {P: 0.316 atm, A: 3.82e+63, b: -20.44, Ea: 4.342e+04} - {P: 1.0 atm, A: 3.18e+27, b: -7.76, Ea: 3.723e+04} - {P: 3.16 atm, A: 2.32e-05, b: 3.47, Ea: 3.156e+04} - {P: 10.0 atm, A: 0.106, b: 2.64, Ea: 3.416e+04} - {P: 31.6 atm, A: 562.0, b: 1.7, Ea: 3.645e+04} - {P: 100.0 atm, A: 1.11e+07, b: 0.52, Ea: 3.867e+04} - equation: C2H3OO <=> CH2O + HCO # Reaction 295 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.66e+174, b: -55.52, Ea: 6.032e+04} - {P: 0.1 atm, A: 9.03e+66, b: -17.25, Ea: 4.812e+04} - {P: 0.316 atm, A: 1.82e+43, b: -9.87, Ea: 3.796e+04} - {P: 1.0 atm, A: 8.64e+33, b: -6.88, Ea: 3.437e+04} - {P: 3.16 atm, A: 7.29e+171, b: -43.53, Ea: 1.919e+05} - {P: 10.0 atm, A: 1.03e+32, b: -6.06, Ea: 3.55e+04} - {P: 31.6 atm, A: 1.85e+34, b: -6.57, Ea: 3.851e+04} - {P: 100.0 atm, A: 5.7e+29, b: -5.19, Ea: 3.68e+04} - equation: C2H3OO <=> CH2O + HCO # Reaction 296 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.27e+35, b: -7.97, Ea: 3.128e+04} - {P: 0.1 atm, A: 2.08e+26, b: -4.96, Ea: 2.878e+04} - {P: 0.316 atm, A: 1.45e+20, b: -3.08, Ea: 2.663e+04} - {P: 1.0 atm, A: 1.06e+130, b: -39.38, Ea: 5.47e+04} - {P: 3.16 atm, A: 2.35e+34, b: -6.87, Ea: 3.57e+04} - {P: 10.0 atm, A: 2.18e+175, b: -53.78, Ea: 6.85e+04} - {P: 31.6 atm, A: 1.07e+185, b: -54.22, Ea: 8.899e+04} - {P: 100.0 atm, A: 468.0, b: 1.81, Ea: 1.81e+04} - equation: C2H3OO => CH2O + H + CO # Reaction 297 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 3.88e+174, b: -55.52, Ea: 6.032e+04} - {P: 0.1 atm, A: 2.11e+67, b: -17.25, Ea: 4.812e+04} - {P: 0.316 atm, A: 4.26e+43, b: -9.87, Ea: 3.796e+04} - {P: 1.0 atm, A: 2.02e+34, b: -6.88, Ea: 3.437e+04} - {P: 3.16 atm, A: 1.7e+172, b: -43.53, Ea: 1.919e+05} - {P: 10.0 atm, A: 2.4e+32, b: -6.06, Ea: 3.55e+04} - {P: 31.6 atm, A: 4.32e+34, b: -6.57, Ea: 3.851e+04} - {P: 100.0 atm, A: 1.33e+30, b: -5.19, Ea: 3.68e+04} - equation: C2H3OO => CH2O + H + CO # Reaction 298 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 5.29e+35, b: -7.97, Ea: 3.128e+04} - {P: 0.1 atm, A: 4.85e+26, b: -4.96, Ea: 2.878e+04} - {P: 0.316 atm, A: 3.37e+20, b: -3.08, Ea: 2.663e+04} - {P: 1.0 atm, A: 2.46e+130, b: -39.38, Ea: 5.47e+04} - {P: 3.16 atm, A: 5.49e+34, b: -6.87, Ea: 3.57e+04} - {P: 10.0 atm, A: 5.09e+175, b: -53.78, Ea: 6.85e+04} - {P: 31.6 atm, A: 2.49e+185, b: -54.22, Ea: 8.899e+04} - {P: 100.0 atm, A: 1090.0, b: 1.81, Ea: 1.81e+04} - equation: C2H3OO <=> CO + CH3O # Reaction 299 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 5.2e+33, b: -7.92, Ea: 3.132e+04} - {P: 0.1 atm, A: 1.26e+98, b: -27.09, Ea: 6.406e+04} - {P: 0.316 atm, A: 1.8e+33, b: -7.27, Ea: 3.376e+04} - {P: 1.0 atm, A: 3.83e+33, b: -7.2, Ea: 3.51e+04} - {P: 3.16 atm, A: 1.28e+79, b: -19.61, Ea: 7.487e+04} - {P: 10.0 atm, A: 4.07e+32, b: -6.62, Ea: 3.721e+04} - {P: 31.6 atm, A: 6.86e+44, b: -10.04, Ea: 4.703e+04} - {P: 100.0 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - equation: C2H3OO <=> CO + CH3O # Reaction 300 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.31e+129, b: -41.86, Ea: 4.585e+04} - {P: 0.1 atm, A: 2.42e+28, b: -5.99, Ea: 3.054e+04} - {P: 0.316 atm, A: 8.69e-50, b: 16.63, Ea: -3900.0} - {P: 1.0 atm, A: 1.19e-39, b: 13.61, Ea: -1317.0} - {P: 3.16 atm, A: 8.8e+86, b: -23.08, Ea: 6.101e+04} - {P: 10.0 atm, A: 1270.0, b: 1.44, Ea: 1.866e+04} - {P: 31.6 atm, A: 1.97e+17, b: -2.23, Ea: 2.859e+04} - {P: 100.0 atm, A: 3.25e+04, b: 1.694, Ea: 2.33276e+04} - equation: CHOCHO + OH => HCO + CO + H2O # Reaction 301 rate-constant: {A: 6.13299e+04, b: 2.65, Ea: -4586.4} - equation: C2H3 + H <=> C2H2 + H2 # Reaction 302 rate-constant: {A: 1.7e+14, b: 0.0, Ea: 0.0} - equation: C2H3 + H <=> H2CC + H2 # Reaction 303 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + OH <=> C2H2 + H2O # Reaction 304 rate-constant: {A: 3.011e+13, b: 0.0, Ea: 0.0} - equation: C2H3 + CH3 <=> CH4 + C2H2 # Reaction 305 rate-constant: {A: 3.92e+11, b: 0.0, Ea: 0.0} - equation: C2H3 + C2H3 <=> C2H2 + C2H4 # Reaction 306 rate-constant: {A: 9.6e+11, b: 0.0, Ea: 0.0} - equation: C2H + H (+ M) <=> C2H2 (+ M) # Reaction 307 type: falloff low-P-rate-constant: {A: 3.75e+33, b: -4.8, Ea: 1900.0} high-P-rate-constant: {A: 1.0e+17, b: 0.0, Ea: 0.0} Troe: {A: 0.646, T3: 132.0, T1: 1315.0, T2: 5566.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: C2H2 (+ M) <=> H2CC (+ M) # Reaction 308 type: falloff low-P-rate-constant: {A: 2.45e+15, b: -0.64, Ea: 4.97e+04} high-P-rate-constant: {A: 8.0e+14, b: -0.52, Ea: 5.075e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0, C2H4: 2.5, C2H2: 2.5} - equation: C2H2 + O <=> CH2 + CO # Reaction 309 rate-constant: {A: 7.395e+08, b: 1.28, Ea: 2472.0} - equation: C2H2 + O <=> HCCO + H # Reaction 310 rate-constant: {A: 2.958e+09, b: 1.28, Ea: 2472.0} - equation: C2H2 + HO2 <=> CH2CO + OH # Reaction 311 rate-constant: {A: 6.03e+09, b: 0.0, Ea: 7949.0} - equation: C2H2 + HCO <=> C2H3 + CO # Reaction 312 rate-constant: {A: 1.0e+07, b: 2.0, Ea: 6000.0} - equation: C2H2 + CH2 <=> C3H3 + H # Reaction 313 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 6620.0} - equation: C2H2 + CH2(S) <=> C3H3 + H # Reaction 314 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C2H2 + HCCO <=> C3H3 + CO # Reaction 315 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 3000.0} - equation: H2CC + H <=> C2H2 + H # Reaction 316 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: H2CC + OH <=> CH2CO + H # Reaction 317 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: H2CC + O2 <=> HCO + HCO # Reaction 318 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C2H2 + OH <=> C2H + H2O # Reaction 319 rate-constant: {A: 2.632e+06, b: 2.14, Ea: 1.706e+04} - equation: C2H2 + OH <=> HCCOH + H # Reaction 320 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.8e+05, b: 2.28, Ea: 1.242e+04} - {P: 0.025 atm, A: 7.467e+05, b: 2.16, Ea: 1.255e+04} - {P: 0.1 atm, A: 1.776e+06, b: 2.04, Ea: 1.267e+04} - {P: 1.0 atm, A: 2.415e+06, b: 2.0, Ea: 1.271e+04} - {P: 10.0 atm, A: 3.21e+06, b: 1.97, Ea: 1.281e+04} - {P: 100.0 atm, A: 7.347e+06, b: 1.89, Ea: 1.36e+04} - equation: C2H2 + OH <=> CH2CO + H # Reaction 321 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1578.0, b: 2.56, Ea: -844.5} - {P: 0.025 atm, A: 1.518e+04, b: 2.28, Ea: -292.1} - {P: 0.1 atm, A: 3.017e+05, b: 1.92, Ea: 598.1} - {P: 1.0 atm, A: 7.528e+06, b: 1.55, Ea: 2106.0} - {P: 10.0 atm, A: 5.101e+06, b: 1.65, Ea: 3400.0} - {P: 100.0 atm, A: 1.457e+04, b: 2.45, Ea: 4477.0} - equation: C2H2 + OH <=> CH3 + CO # Reaction 322 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.757e+05, b: 1.68, Ea: -329.8} - {P: 0.025 atm, A: 4.372e+06, b: 1.4, Ea: 226.5} - {P: 0.1 atm, A: 7.648e+07, b: 1.05, Ea: 1115.0} - {P: 1.0 atm, A: 1.277e+09, b: 0.73, Ea: 2579.0} - {P: 10.0 atm, A: 4.312e+08, b: 0.92, Ea: 3736.0} - {P: 100.0 atm, A: 8.25e+05, b: 1.77, Ea: 4697.0} - equation: C2H2 + OH <=> C2H2OH # Reaction 323 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.913e+32, b: -7.126, Ea: 5824.0} - {P: 0.025 atm, A: 1.067e+32, b: -6.847, Ea: 5508.0} - {P: 0.1 atm, A: 1.646e+32, b: -6.717, Ea: 5822.0} - {P: 1.0 atm, A: 1.387e+31, b: -6.087, Ea: 6348.0} - {P: 10.0 atm, A: 2.892e+29, b: -5.288, Ea: 7055.0} - {P: 100.0 atm, A: 1.367e+25, b: -3.754, Ea: 6543.0} - equation: H + HCCOH <=> H + CH2CO # Reaction 324 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C2H + O2 <=> CO2 + CHV # Reaction 325 rate-constant: {A: 2.17e+10, b: 0.0, Ea: 0.0} - equation: C2H + O2 <=> HCO + CO # Reaction 326 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1500.0} - equation: C2H + O <=> CO + CHV # Reaction 327 rate-constant: {A: 6.2e+12, b: 0.0, Ea: 0.0} - equation: C2H + O <=> CO + CH # Reaction 328 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2H + H2 <=> H + C2H2 # Reaction 329 rate-constant: {A: 4.9e+05, b: 2.5, Ea: 560.0} - equation: C2H + OH <=> H + HCCO # Reaction 330 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CHO (+ M) <=> CH3 + HCO (+ M) # Reaction 331 type: falloff low-P-rate-constant: {A: 1.03e+59, b: -11.3, Ea: 9.59125e+04} high-P-rate-constant: {A: 2.45e+22, b: -1.74, Ea: 8.6355e+04} Troe: {A: 2.49e-03, T3: 718.1, T1: 6.089, T2: 3780.0} - equation: CH3CHO (+ M) <=> CH4 + CO (+ M) # Reaction 332 type: falloff low-P-rate-constant: {A: 1.144e+58, b: -11.3, Ea: 9.59125e+04} high-P-rate-constant: {A: 2.72e+21, b: -1.74, Ea: 8.6355e+04} Troe: {A: 2.49e-03, T3: 718.1, T1: 6.089, T2: 3780.0} - equation: CH3CHO + O2 <=> CH3CO + HO2 # Reaction 333 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04} - equation: CH3CHO + O <=> CH3CO + OH # Reaction 334 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: CH3CHO + H <=> CH3CO + H2 # Reaction 335 rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0} - equation: CH3CHO + OH <=> CH3CO + H2O # Reaction 336 rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0} - equation: CH3CHO + HO2 <=> CH3CO + H2O2 # Reaction 337 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: CH3CHO + CH3 <=> CH3CO + CH4 # Reaction 338 rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0} - equation: CH3CHO + CH3O2 <=> CH3CO + CH3O2H # Reaction 339 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: CH3CHO + CH3CO3 <=> CH3CO + CH3CO3H # Reaction 340 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: CH3CHO + H <=> CH2CHO + H2 # Reaction 341 rate-constant: {A: 2720.0, b: 3.1, Ea: 5210.0} - equation: CH3CHO + OH <=> CH2CHO + H2O # Reaction 342 rate-constant: {A: 1.72e+05, b: 2.4, Ea: 815.0} - equation: CH3CHO + OH <=> CH3 + HOCHO # Reaction 343 rate-constant: {A: 3.0e+15, b: -1.076, Ea: 0.0} - equation: CH3CO (+ M) <=> CH3 + CO (+ M) # Reaction 344 type: falloff low-P-rate-constant: {A: 5.65e+18, b: -0.97, Ea: 1.46e+04} high-P-rate-constant: {A: 1.07e+12, b: 0.63, Ea: 1.69e+04} Troe: {A: 0.629, T3: 8.73e+09, T1: 5.52, T2: 7.6e+07} - equation: CH3CO (+ M) <=> CH2CO + H (+ M) # Reaction 345 type: falloff low-P-rate-constant: {A: 1.516e+51, b: -10.27, Ea: 5.539e+04} high-P-rate-constant: {A: 9.413e+07, b: 1.917, Ea: 4.49872e+04} Troe: {A: 0.6009, T3: 8.103e+09, T1: 667.7, T2: 5.0e+09} - equation: CH3CO + H <=> CH2CO + H2 # Reaction 346 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + O <=> CH2CO + OH # Reaction 347 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + CH3 <=> CH2CO + CH4 # Reaction 348 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: CH3CO + O2 <=> CH3CO3 # Reaction 349 rate-constant: {A: 1.2e+11, b: 0.0, Ea: -1100.0} - equation: CH3CO3 + HO2 <=> CH3CO3H + O2 # Reaction 350 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: H2O2 + CH3CO3 <=> HO2 + CH3CO3H # Reaction 351 rate-constant: {A: 2.41e+12, b: 0.0, Ea: 9936.0} - equation: CH4 + CH3CO3 <=> CH3 + CH3CO3H # Reaction 352 rate-constant: {A: 1.81e+11, b: 0.0, Ea: 1.848e+04} - equation: C2H3OH <=> CH3CHO # Reaction 353 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 7.42e+46, b: -10.56, Ea: 6.742e+04} - {P: 1.0 atm, A: 4.42e+42, b: -9.09, Ea: 6.70692e+04} - {P: 100.0 atm, A: 2.9e+27, b: -4.35, Ea: 6.16129e+04} - equation: C2H3OH + O2 <=> CH2CHO + HO2 # Reaction 354 rate-constant: {A: 5.31e+11, b: 0.21, Ea: 3.983e+04} - equation: C2H3OH + O <=> CH2CHO + OH # Reaction 355 rate-constant: {A: 1.875e+06, b: 1.9, Ea: -860.0} - equation: C2H3OH + H <=> CH2CHO + H2 # Reaction 356 rate-constant: {A: 1480.0, b: 3.077, Ea: 7220.0} - equation: C2H3OH + OH <=> CH2CHO + H2O # Reaction 357 rate-constant: {A: 3.33e+09, b: 1.1, Ea: 540.5} - equation: C2H3OH + CH3 <=> CH2CHO + CH4 # Reaction 358 rate-constant: {A: 2.03e-08, b: 5.9, Ea: 1052.0} - equation: C2H3OH + CH3O2 <=> CH2CHO + CH3O2H # Reaction 359 rate-constant: {A: 3400.0, b: 2.5, Ea: 8922.0} - equation: C2H3OH + H <=> C2H2OH + H2 # Reaction 360 rate-constant: {A: 2.47e+07, b: 2.03, Ea: 1.52e+04} - equation: C2H3OH + H <=> PC2H4OH # Reaction 361 rate-constant: {A: 3.01e+08, b: 1.577, Ea: 3670.0} - equation: C2H3OH + HO2 <=> CH3CHO + HO2 # Reaction 362 rate-constant: {A: 1.49e+05, b: 1.67, Ea: 6810.0} - equation: CH2CHO (+ M) <=> CH2CO + H (+ M) # Reaction 363 type: falloff low-P-rate-constant: {A: 6.0e+29, b: -3.8, Ea: 4.34239e+04} high-P-rate-constant: {A: 1.43e+15, b: -0.15, Ea: 4.56e+04} Troe: {A: 0.985, T3: 393.0, T1: 9.8e+09, T2: 5.0e+09} - equation: CH2CHO (+ M) <=> CH3 + CO (+ M) # Reaction 364 type: falloff low-P-rate-constant: {A: 9.52e+33, b: -5.07, Ea: 4.13e+04} high-P-rate-constant: {A: 2.93e+12, b: 0.29, Ea: 4.03e+04} Troe: {A: 7.13e-17, T3: 1150.0, T1: 4.99e+09, T2: 1.79e+09} - equation: CH3CO3H <=> CH3CO2 + OH # Reaction 365 rate-constant: {A: 5.01e+14, b: 0.0, Ea: 4.015e+04} - equation: CH3CO3 + CH2O <=> CH3CO3H + HCO # Reaction 366 rate-constant: {A: 1.99e+12, b: 0.0, Ea: 1.166e+04} - equation: CH3CO3 + C2H6 <=> CH3CO3H + C2H5 # Reaction 367 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: CH3CO2 + M <=> CH3 + CO2 + M # Reaction 368 type: three-body rate-constant: {A: 4.4e+15, b: 0.0, Ea: 1.05e+04} - equation: CH2CHO + O2 <=> O2CH2CHO # Reaction 369 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.58e+77, b: -21.9, Ea: 1.935e+04} - {P: 0.1 atm, A: 3.88e+69, b: -18.84, Ea: 1.924e+04} - {P: 1.0 atm, A: 7.8e+59, b: -15.4, Ea: 1.765e+04} - {P: 10.0 atm, A: 3.05e+50, b: -12.2, Ea: 1.563e+04} - equation: CH2CHO + O2 <=> CH2CO + HO2 # Reaction 370 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.88e+05, b: 2.37, Ea: 2.373e+04} - {P: 0.1 atm, A: 1.88e+05, b: 2.37, Ea: 2.737e+04} - {P: 1.0 atm, A: 2.51e+05, b: 2.33, Ea: 2.38e+04} - {P: 10.0 atm, A: 7.05e+07, b: 1.63, Ea: 2.529e+04} - equation: CH2CHO + O2 => CH2O + CO + OH # Reaction 371 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.68e+17, b: -1.84, Ea: 6530.0} - {P: 0.1 atm, A: 1.52e+20, b: -2.58, Ea: 8980.0} - {P: 1.0 atm, A: 1.65e+19, b: -2.22, Ea: 1.034e+04} - {P: 10.0 atm, A: 8.953e+13, b: -0.6, Ea: 1.012e+04} - equation: CH2CHO + O2 <=> HO2CH2CO # Reaction 372 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.64e+65, b: -21.87, Ea: 1.902e+04} - {P: 0.1 atm, A: 3.64e+58, b: -19.0, Ea: 1.909e+04} - {P: 1.0 atm, A: 6.65e+48, b: -15.55, Ea: 1.746e+04} - {P: 10.0 atm, A: 4.8e+38, b: -12.14, Ea: 1.496e+04} - equation: O2CH2CHO <=> HO2CH2CO # Reaction 373 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.27e+30, b: -6.65, Ea: 2.45e+04} - {P: 0.1 atm, A: 1.73e+26, b: -4.99, Ea: 2.376e+04} - {P: 1.0 atm, A: 9.03e+19, b: -2.92, Ea: 2.217e+04} - {P: 10.0 atm, A: 1.43e+16, b: -1.67, Ea: 2.121e+04} - equation: O2CH2CHO <=> CH2CO + HO2 # Reaction 374 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.05e+40, b: -13.31, Ea: 5.215e+04} - {P: 0.1 atm, A: 5.72e+45, b: -14.0, Ea: 5.22e+04} - {P: 1.0 atm, A: 4.16e+55, b: -15.76, Ea: 5.508e+04} - {P: 10.0 atm, A: 1.12e+61, b: -16.04, Ea: 6.001e+04} - equation: HO2CH2CO => CO + CH2O + OH # Reaction 375 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.36e+17, b: -2.95, Ea: 8100.0} - {P: 0.1 atm, A: 2.38e+18, b: -2.95, Ea: 8100.0} - {P: 1.0 atm, A: 2.51e+19, b: -2.95, Ea: 8110.0} - {P: 10.0 atm, A: 4.16e+20, b: -3.02, Ea: 8240.0} - equation: HO2CH2CO <=> CH2CO + HO2 # Reaction 376 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.12e+07, b: -3.76, Ea: 2.168e+04} - {P: 0.1 atm, A: 1.1e+08, b: -3.76, Ea: 2.168e+04} - {P: 1.0 atm, A: 9.2e+08, b: -3.73, Ea: 2.163e+04} - {P: 10.0 atm, A: 2.09e+09, b: -3.55, Ea: 2.122e+04} - equation: CH2 + CO (+ M) <=> CH2CO (+ M) # Reaction 377 type: falloff low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095.0} high-P-rate-constant: {A: 8.1e+11, b: 0.0, Ea: 0.0} Troe: {A: 0.5907, T3: 275.0, T1: 1226.0, T2: 5185.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: CH2CO + H <=> HCCO + H2 # Reaction 378 rate-constant: {A: 1.401e+15, b: -0.171, Ea: 8783.2} - equation: CH2CO + O <=> HCCO + OH # Reaction 379 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0} - equation: CH2CO + OH <=> HCCO + H2O # Reaction 380 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2000.0} - equation: CH2CO + H <=> CH3 + CO # Reaction 381 rate-constant: {A: 7.704e+13, b: -0.171, Ea: 4183.2} - equation: CH + CH2O <=> H + CH2CO # Reaction 382 rate-constant: {A: 9.46e+13, b: 0.0, Ea: -515.0} - equation: CH2CO + O <=> CH2 + CO2 # Reaction 383 rate-constant: {A: 1.75e+12, b: 0.0, Ea: 1350.0} - equation: CH2CO + OH <=> CH2OH + CO # Reaction 384 rate-constant: {A: 2.0e+12, b: 0.0, Ea: -1010.0} - equation: CH2CO + CH2(S) <=> C2H4 + CO # Reaction 385 rate-constant: {A: 1.6e+14, b: 0.0, Ea: 0.0} - equation: CH2CO + CH3 <=> C2H5 + CO # Reaction 386 rate-constant: {A: 4.769e+04, b: 2.312, Ea: 9468.0} - equation: HCCO + OH => H2 + CO + CO # Reaction 387 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: HCCO + O => H + CO + CO # Reaction 388 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 0.0} - equation: CH + CO + M <=> HCCO + M # Reaction 389 type: three-body rate-constant: {A: 7.57e+22, b: -1.9, Ea: 0.0} - equation: HCCO + H <=> CH2(S) + CO # Reaction 390 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: HCCO + O2 => OH + CO + CO # Reaction 391 rate-constant: {A: 1.91e+11, b: -0.02, Ea: 1020.0} - equation: HCCO + O2 => CO2 + CO + H # Reaction 392 rate-constant: {A: 4.78e+12, b: -0.142, Ea: 1150.0} - equation: CH + HCCO <=> CO + C2H2 # Reaction 393 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C2H5OH <=> C2H4 + H2O # Reaction 394 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.41e+59, b: -14.2, Ea: 8.36726e+04} - {P: 0.01 atm, A: 2.62e+57, b: -13.3, Ea: 8.52622e+04} - {P: 0.1 atm, A: 1.65e+52, b: -11.5, Ea: 8.47456e+04} - {P: 1.0 atm, A: 5.23e+43, b: -8.9, Ea: 8.15067e+04} - {P: 10.0 atm, A: 4.59e+32, b: -5.6, Ea: 7.60624e+04} - {P: 100.0 atm, A: 3.84e+20, b: -2.06, Ea: 6.94655e+04} - equation: C2H5OH <=> CH3 + CH2OH # Reaction 395 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.2e+54, b: -12.9, Ea: 1.000057e+05} - {P: 0.01 atm, A: 5.18e+59, b: -14.0, Ea: 9.99064e+04} - {P: 0.1 atm, A: 1.62e+66, b: -15.3, Ea: 1.053905e+05} - {P: 1.0 atm, A: 5.55e+64, b: -14.5, Ea: 1.06183e+05} - {P: 10.0 atm, A: 1.55e+58, b: -12.3, Ea: 1.05768e+05} - {P: 100.0 atm, A: 1.78e+47, b: -8.96, Ea: 1.010588e+05} - equation: C2H5OH <=> C2H5 + OH # Reaction 396 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.1e+46, b: -11.3, Ea: 1.110534e+05} - {P: 0.01 atm, A: 1.86e+56, b: -13.5, Ea: 1.072384e+05} - {P: 0.1 atm, A: 4.65e+63, b: -15.0, Ea: 1.096228e+05} - {P: 1.0 atm, A: 4.46e+65, b: -14.9, Ea: 1.12345e+05} - {P: 10.0 atm, A: 2.79e+61, b: -13.4, Ea: 1.130802e+05} - {P: 100.0 atm, A: 6.17e+51, b: -10.3, Ea: 1.099407e+05} - equation: C2H5OH + O <=> C2H5O + OH # Reaction 397 rate-constant: {A: 1.46e-03, b: 4.73, Ea: 1727.0} - equation: C2H5OH + OH <=> C2H5O + H2O # Reaction 398 rate-constant: {A: 5.81e-03, b: 4.28, Ea: -3560.0} - equation: C2H5OH + H <=> C2H5O + H2 # Reaction 399 rate-constant: {A: 945.0, b: 3.14, Ea: 8701.1} - equation: C2H5OH + HO2 <=> C2H5O + H2O2 # Reaction 400 rate-constant: {A: 6.47e-07, b: 5.3, Ea: 1.05331e+04} - equation: C2H5OH + CH3 <=> C2H5O + CH4 # Reaction 401 rate-constant: {A: 2.035, b: 3.57, Ea: 7721.0} - equation: C2H5OH + CH3O2 <=> C2H5O + CH3O2H # Reaction 402 rate-constant: {A: 3.236e-07, b: 5.3, Ea: 1.05331e+04} - equation: C2H5OH + C2H5 <=> PC2H4OH + C2H6 # Reaction 403 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.34e+04} - equation: C2H5OH + O2 <=> SC2H4OH + HO2 # Reaction 404 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5.015e+04} - equation: C2H5OH + O <=> SC2H4OH + OH # Reaction 405 rate-constant: {A: 1.45e+05, b: 2.47, Ea: 876.0} - equation: C2H5OH + H <=> SC2H4OH + H2 # Reaction 406 rate-constant: {A: 8.79e+04, b: 2.68, Ea: 2910.0} - equation: C2H5OH + OH <=> SC2H4OH + H2O # Reaction 407 rate-constant: {A: 7.52e+04, b: 2.49, Ea: -1474.1} - equation: C2H5OH + HO2 <=> SC2H4OH + H2O2 # Reaction 408 rate-constant: {A: 2.45e-05, b: 5.26, Ea: 7475.1} - equation: C2H5OH + CH3 <=> SC2H4OH + CH4 # Reaction 409 rate-constant: {A: 19.93, b: 3.37, Ea: 7634.0} - equation: C2H5OH + CH3O2 <=> SC2H4OH + CH3O2H # Reaction 410 rate-constant: {A: 1.225e-05, b: 5.26, Ea: 7475.1} - equation: C2H5OH + C2H5 <=> SC2H4OH + C2H6 # Reaction 411 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: C2H5OH + O2 <=> PC2H4OH + HO2 # Reaction 412 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5.28e+04} - equation: C2H5OH + O <=> PC2H4OH + OH # Reaction 413 rate-constant: {A: 969.0, b: 3.23, Ea: 4658.0} - equation: C2H5OH + H <=> PC2H4OH + H2 # Reaction 414 rate-constant: {A: 5.31e+04, b: 2.81, Ea: 7490.0} - equation: C2H5OH + OH <=> PC2H4OH + H2O # Reaction 415 rate-constant: {A: 3760.0, b: 2.78, Ea: -1810.2} - equation: C2H5OH + HO2 <=> PC2H4OH + H2O2 # Reaction 416 rate-constant: {A: 0.03986, b: 4.3, Ea: 1.5333e+04} - equation: C2H5OH + CH3 <=> PC2H4OH + CH4 # Reaction 417 rate-constant: {A: 330.0, b: 3.3, Ea: 1.229e+04} - equation: C2H5OH + CH3O2 <=> PC2H4OH + CH3O2H # Reaction 418 rate-constant: {A: 0.01995, b: 4.3, Ea: 1.5333e+04} - equation: SC2H4OH <=> CH3CHO + H # Reaction 419 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.69e+52, b: -13.38, Ea: 4.5049e+04} - {P: 0.01 atm, A: 3.29e+56, b: -14.12, Ea: 4.8129e+04} - {P: 0.1 atm, A: 8.58e+57, b: -14.16, Ea: 5.0743e+04} - {P: 1.0 atm, A: 5.36e+55, b: -13.15, Ea: 5.1886e+04} - {P: 10.0 atm, A: 1.66e+48, b: -10.64, Ea: 5.0297e+04} - {P: 20.0 atm, A: 8.26e+44, b: -9.59, Ea: 4.9218e+04} - {P: 50.0 atm, A: 1.01e+40, b: -8.06, Ea: 4.7439e+04} - {P: 100.0 atm, A: 1.1e+36, b: -6.84, Ea: 4.5899e+04} - equation: SC2H4OH <=> C2H3OH + H # Reaction 420 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.4e+46, b: -11.63, Ea: 4.4323e+04} - {P: 0.01 atm, A: 1.21e+51, b: -12.55, Ea: 4.724e+04} - {P: 0.1 atm, A: 2.87e+54, b: -13.15, Ea: 5.0702e+04} - {P: 1.0 atm, A: 3.79e+53, b: -12.51, Ea: 5.256e+04} - {P: 10.0 atm, A: 6.33e+46, b: -10.2, Ea: 5.1441e+04} - {P: 20.0 atm, A: 3.87e+43, b: -9.17, Ea: 5.044e+04} - {P: 50.0 atm, A: 5.08e+38, b: -7.65, Ea: 4.8713e+04} - {P: 100.0 atm, A: 5.12e+34, b: -6.41, Ea: 4.7182e+04} - equation: SC2H4OH <=> C2H5O # Reaction 421 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.48e+45, b: -11.63, Ea: 4.4328e+04} - {P: 0.01 atm, A: 2.54e+49, b: -12.37, Ea: 4.6445e+04} - {P: 0.1 atm, A: 1.65e+54, b: -13.4, Ea: 5.033e+04} - {P: 1.0 atm, A: 1.81e+55, b: -13.31, Ea: 5.3132e+04} - {P: 10.0 atm, A: 4.58e+49, b: -11.32, Ea: 5.2714e+04} - {P: 20.0 atm, A: 4.11e+46, b: -10.33, Ea: 5.1834e+04} - {P: 50.0 atm, A: 6.68e+41, b: -8.83, Ea: 5.0202e+04} - {P: 100.0 atm, A: 6.54e+37, b: -7.58, Ea: 4.8697e+04} - equation: SC2H4OH <=> PC2H4OH # Reaction 422 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.65e+36, b: -8.86, Ea: 5.1019e+04} - {P: 0.01 atm, A: 3.56e+37, b: -8.89, Ea: 5.1114e+04} - {P: 0.1 atm, A: 4.14e+39, b: -9.19, Ea: 5.1912e+04} - {P: 1.0 atm, A: 5.82e+44, b: -10.34, Ea: 5.5296e+04} - {P: 10.0 atm, A: 4.26e+48, b: -11.06, Ea: 5.9458e+04} - {P: 20.0 atm, A: 8.84e+47, b: -10.74, Ea: 5.9901e+04} - {P: 50.0 atm, A: 2.23e+45, b: -9.84, Ea: 5.9604e+04} - {P: 100.0 atm, A: 1.7e+42, b: -8.83, Ea: 5.8737e+04} - equation: CH3 + CH2O <=> C2H5O # Reaction 423 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 6336.0} - equation: CH3CHO + H <=> C2H5O # Reaction 424 rate-constant: {A: 4.61e+07, b: 1.71, Ea: 7090.0} - equation: C2H5O + O2 <=> CH3CHO + HO2 # Reaction 425 rate-constant: {A: 4.28e+10, b: 0.0, Ea: 1097.0} - equation: O2C2H4OH <=> PC2H4OH + O2 # Reaction 426 rate-constant: {A: 3.9e+16, b: -1.0, Ea: 3.0e+04} - equation: O2C2H4OH => OH + CH2O + CH2O # Reaction 427 rate-constant: {A: 1.25e+11, b: 0.0, Ea: 1.89e+04} - equation: SC2H4OH + O2 <=> CH3CHO + HO2 # Reaction 428 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.26e+17, b: -1.637, Ea: 838.0} - {P: 0.1 atm, A: 5.26e+17, b: -1.637, Ea: 838.0} - {P: 1.0 atm, A: 5.28e+17, b: -1.638, Ea: 839.0} - {P: 10.0 atm, A: 1.54e+18, b: -1.771, Ea: 1120.0} - {P: 100.0 atm, A: 3.78e+20, b: -2.429, Ea: 3090.0} - equation: SC2H4OH + O2 <=> C2H3OH + HO2 # Reaction 429 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 512.0, b: 2.496, Ea: -414.0} - {P: 0.1 atm, A: 533.0, b: 2.49, Ea: -402.0} - {P: 1.0 atm, A: 762.0, b: 2.446, Ea: -296.0} - {P: 10.0 atm, A: 8920.0, b: 2.146, Ea: 470.0} - {P: 100.0 atm, A: 4.38e+05, b: 1.699, Ea: 2330.0} - equation: CH3OCH3 (+ M) <=> CH3 + CH3O (+ M) # Reaction 430 type: falloff low-P-rate-constant: {A: 1.72e+59, b: -11.4, Ea: 9.32956e+04} high-P-rate-constant: {A: 2.33e+19, b: -0.661, Ea: 8.4139e+04} Troe: {A: 1.0, T3: 1.0e-30, T1: 880.0} efficiencies: {CH3OCH3: 5.0, CO2: 3.0, CO: 2.25, H2: 3.0, H2O: 9.0, CH4: 3.0, C2H6: 4.5, N2: 1.5} - equation: CH3OCH3 + OH <=> CH3OCH2 + H2O # Reaction 431 rate-constant: {A: 9.35e+05, b: 2.29, Ea: -780.7} - equation: CH3OCH3 + H <=> CH3OCH2 + H2 # Reaction 432 rate-constant: {A: 7.721e+06, b: 2.09, Ea: 3384.0} - equation: CH3OCH3 + O <=> CH3OCH2 + OH # Reaction 433 rate-constant: {A: 7.75e+08, b: 1.36, Ea: 2250.0} - equation: CH3OCH3 + HO2 <=> CH3OCH2 + H2O2 # Reaction 434 rate-constant: {A: 3.17e-03, b: 4.64, Ea: 1.0556e+04} - equation: CH3OCH3 + CH3O2 <=> CH3OCH2 + CH3O2H # Reaction 435 rate-constant: {A: 1.268e-03, b: 4.64, Ea: 1.0556e+04} - equation: CH3OCH3 + CH3 <=> CH3OCH2 + CH4 # Reaction 436 rate-constant: {A: 7.02, b: 3.78, Ea: 9687.1} - equation: CH3OCH3 + O2 <=> CH3OCH2 + HO2 # Reaction 437 rate-constant: {A: 4.1e+13, b: 0.0, Ea: 4.491e+04} - equation: CH3OCH3 + CH3O <=> CH3OCH2 + CH3OH # Reaction 438 rate-constant: {A: 6.02e+11, b: 0.0, Ea: 4074.0} - equation: CH3OCH3 + CH3OCH2O2 <=> CH3OCH2 + CH3OCH2O2H # Reaction 439 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.769e+04} - equation: CH3OCH3 + O2CHO <=> CH3OCH2 + HO2CHO # Reaction 440 rate-constant: {A: 4.425e+04, b: 2.6, Ea: 1.391e+04} - equation: CH3OCH3 + OCHO <=> CH3OCH2 + HOCHO # Reaction 441 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.769e+04} - equation: CH3OCH2 + CH3O <=> CH3OCH3 + CH2O # Reaction 442 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} - equation: CH3OCH2 + CH2O <=> CH3OCH3 + HCO # Reaction 443 rate-constant: {A: 5490.0, b: 2.8, Ea: 5862.0} - equation: CH3OCH2 + CH3CHO <=> CH3OCH3 + CH3CO # Reaction 444 rate-constant: {A: 1.26e+12, b: 0.0, Ea: 8499.0} - equation: CH3OCH2 <=> CH3 + CH2O # Reaction 445 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.494e+23, b: -4.5152, Ea: 2.52361e+04} - {P: 0.1 atm, A: 6.921e+28, b: -5.7271, Ea: 2.74949e+04} - {P: 1.0 atm, A: 4.229e+29, b: -5.6103, Ea: 2.88983e+04} - {P: 10.0 atm, A: 6.608e+27, b: -4.7073, Ea: 2.97352e+04} - {P: 100.0 atm, A: 2.659e+29, b: -4.9358, Ea: 3.17855e+04} - equation: CH3OCH2 + O2 <=> CH3OCH2O2 # Reaction 446 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.12e+18, b: -3.37, Ea: -4294.0} - {P: 0.01 atm, A: 1.33e+21, b: -3.95, Ea: -2615.0} - {P: 1.0 atm, A: 1.13e+28, b: -5.24, Ea: 4088.0} - {P: 2.0 atm, A: 3.91e+27, b: -5.0, Ea: 4512.0} - {P: 10.0 atm, A: 2.75e+24, b: -3.87, Ea: 4290.0} - {P: 20.0 atm, A: 2.97e+22, b: -3.23, Ea: 3781.0} - {P: 50.0 atm, A: 5.19e+19, b: -2.35, Ea: 2908.0} - {P: 100.0 atm, A: 5.43e+17, b: -1.73, Ea: 2210.0} - equation: CH3OCH2 + O2 <=> CH2OCH2O2H # Reaction 447 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.08e+20, b: -4.39, Ea: 469.0} - {P: 0.01 atm, A: 5.47e+23, b: -4.96, Ea: 2183.0} - {P: 1.0 atm, A: 2.81e+28, b: -5.63, Ea: 7848.0} - {P: 2.0 atm, A: 5.19e+27, b: -5.33, Ea: 8144.0} - {P: 10.0 atm, A: 9.67e+24, b: -4.36, Ea: 8417.0} - {P: 20.0 atm, A: 4.08e+23, b: -3.9, Ea: 8494.0} - {P: 50.0 atm, A: 5.08e+21, b: -3.28, Ea: 8585.0} - {P: 100.0 atm, A: 1.62e+20, b: -2.81, Ea: 8619.0} - equation: CH3OCH2 + O2 => CH2O + CH2O + OH # Reaction 448 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.01e+21, b: -3.18, Ea: 3067.0} - {P: 0.01 atm, A: 1.73e+23, b: -3.55, Ea: 4050.0} - {P: 1.0 atm, A: 2.04e+31, b: -5.76, Ea: 1.1594e+04} - {P: 2.0 atm, A: 5.99e+31, b: -5.87, Ea: 1.271e+04} - {P: 10.0 atm, A: 9.39e+30, b: -5.59, Ea: 1.4517e+04} - {P: 20.0 atm, A: 1.09e+30, b: -5.3, Ea: 1.5051e+04} - {P: 50.0 atm, A: 3.58e+28, b: -4.88, Ea: 1.5664e+04} - {P: 100.0 atm, A: 2.41e+27, b: -4.55, Ea: 1.6107e+04} - equation: CH3OCH2O2 <=> CH2OCH2O2H # Reaction 449 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.94e+29, b: -6.99, Ea: 2.2446e+04} - {P: 0.01 atm, A: 4.07e+27, b: -6.16, Ea: 2.1619e+04} - {P: 1.0 atm, A: 2.52e+25, b: -4.76, Ea: 2.2691e+04} - {P: 2.0 atm, A: 5.97e+24, b: -4.48, Ea: 2.2868e+04} - {P: 10.0 atm, A: 4.44e+21, b: -3.38, Ea: 2.2386e+04} - {P: 20.0 atm, A: 4.52e+19, b: -2.74, Ea: 2.1803e+04} - {P: 50.0 atm, A: 5.72e+16, b: -1.82, Ea: 2.0829e+04} - {P: 100.0 atm, A: 3.7e+14, b: -1.13, Ea: 2.0034e+04} - equation: CH3OCH2O2 => CH2O + CH2O + OH # Reaction 450 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.06e+36, b: -8.32, Ea: 3.3415e+04} - {P: 0.01 atm, A: 2.07e+39, b: -8.86, Ea: 3.5842e+04} - {P: 1.0 atm, A: 1.12e+40, b: -8.42, Ea: 3.9835e+04} - {P: 2.0 atm, A: 9.72e+38, b: -8.04, Ea: 3.9923e+04} - {P: 10.0 atm, A: 6.28e+35, b: -6.97, Ea: 3.99e+04} - {P: 20.0 atm, A: 1.6e+34, b: -6.46, Ea: 3.985e+04} - {P: 50.0 atm, A: 8.32e+31, b: -5.75, Ea: 3.9719e+04} - {P: 100.0 atm, A: 1.22e+30, b: -5.2, Ea: 3.9549e+04} - equation: CH2OCH2O2H => CH2O + CH2O + OH # Reaction 451 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.66e+23, b: -4.53, Ea: 2.2243e+04} - {P: 0.01 atm, A: 5.3e+25, b: -4.93, Ea: 2.4158e+04} - {P: 1.0 atm, A: 7.81e+22, b: -3.5, Ea: 2.3156e+04} - {P: 2.0 atm, A: 4.98e+22, b: -3.35, Ea: 2.3062e+04} - {P: 10.0 atm, A: 8.46e+22, b: -3.22, Ea: 2.3559e+04} - {P: 20.0 atm, A: 9.09e+22, b: -3.14, Ea: 2.3899e+04} - {P: 50.0 atm, A: 4.59e+22, b: -2.94, Ea: 2.4262e+04} - {P: 100.0 atm, A: 1.4e+22, b: -2.72, Ea: 2.4407e+04} - equation: CH2OCH2O2H + O2 <=> O2CH2OCH2O2H # Reaction 452 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 9.42e+12, b: -1.68, Ea: -4998.0} - {P: 0.01 atm, A: 8.16e+16, b: -2.5, Ea: -2753.0} - {P: 1.0 atm, A: 1.06e+22, b: -3.3, Ea: 3389.0} - {P: 2.0 atm, A: 3.48e+20, b: -2.79, Ea: 3131.0} - {P: 10.0 atm, A: 2.86e+16, b: -1.48, Ea: 1873.0} - {P: 20.0 atm, A: 8.55e+14, b: -1.01, Ea: 1312.0} - {P: 50.0 atm, A: 2.68e+13, b: -0.54, Ea: 727.0} - {P: 100.0 atm, A: 4.87e+12, b: -0.32, Ea: 428.0} - equation: CH2OCH2O2H + O2 <=> HO2CH2OCHO + OH # Reaction 453 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.9e+20, b: -2.88, Ea: 3234.0} - {P: 0.01 atm, A: 2.06e+23, b: -3.59, Ea: 5116.0} - {P: 1.0 atm, A: 4.45e+29, b: -5.29, Ea: 1.2791e+04} - {P: 2.0 atm, A: 2.44e+28, b: -4.92, Ea: 1.2891e+04} - {P: 10.0 atm, A: 9.42e+23, b: -3.68, Ea: 1.2049e+04} - {P: 20.0 atm, A: 1.04e+22, b: -3.16, Ea: 1.1505e+04} - {P: 50.0 atm, A: 6.95e+19, b: -2.6, Ea: 1.0861e+04} - {P: 100.0 atm, A: 3.96e+18, b: -2.31, Ea: 1.05e+04} - equation: O2CH2OCH2O2H <=> HO2CH2OCHO + OH # Reaction 454 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 9.05e+23, b: -4.88, Ea: 1.8805e+04} - {P: 0.01 atm, A: 6.84e+26, b: -5.32, Ea: 2.2533e+04} - {P: 1.0 atm, A: 5.07e+16, b: -1.81, Ea: 2.1175e+04} - {P: 2.0 atm, A: 2.66e+14, b: -1.11, Ea: 2.031e+04} - {P: 10.0 atm, A: 1.69e+10, b: 0.18, Ea: 1.8604e+04} - {P: 20.0 atm, A: 1.11e+09, b: 0.54, Ea: 1.81e+04} - {P: 50.0 atm, A: 1.07e+08, b: 0.84, Ea: 1.7661e+04} - {P: 100.0 atm, A: 3.86e+07, b: 0.98, Ea: 1.7467e+04} - equation: CH3OCH2O2 + CH3OCH2O2 => O2 + CH3OCH2O + CH3OCH2O # Reaction 455 rate-constant: {A: 1.547e+23, b: -4.5, Ea: 0.0} - equation: CH3OCH2O2 + CH2O <=> CH3OCH2O2H + HCO # Reaction 456 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.166e+04} - equation: CH3OCH2O2 + CH3CHO <=> CH3OCH2O2H + CH3CO # Reaction 457 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: CH3OCH2O + OH <=> CH3OCH2O2H # Reaction 458 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: HO2CH2OCHO <=> OCH2OCHO + OH # Reaction 459 rate-constant: {A: 5.0e+16, b: 0.0, Ea: 4.3e+04} - equation: CH2O + OCHO <=> OCH2OCHO # Reaction 460 rate-constant: {A: 1.25e+11, b: 0.0, Ea: 1.19e+04} - equation: OCH2OCHO <=> HOCH2OCO # Reaction 461 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.4e+04} - equation: HOCH2OCO <=> CH2OH + CO2 # Reaction 462 rate-constant: {A: 1.117e+17, b: -1.526, Ea: 2.07719e+04} - equation: HOCH2OCO <=> HOCH2O + CO # Reaction 463 rate-constant: {A: 2.92e+18, b: -1.965, Ea: 1.9619e+04} - equation: CH3O + CH2O <=> CH3OCH2O # Reaction 464 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7960.0} - equation: CH3OCH2O + O2 <=> CH3OCHO + HO2 # Reaction 465 rate-constant: {A: 4.38e-19, b: 9.5, Ea: -5501.0} - equation: CH3OCH2O <=> CH3OCHO + H # Reaction 466 rate-constant: {A: 3.3e+13, b: 4.0e-03, Ea: 2.61363e+04} - equation: CH3O + HCO <=> CH3OCHO # Reaction 467 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: CH3O + HCO <=> CH3OH + CO # Reaction 468 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: CH3 + OCHO <=> CH3OCHO # Reaction 469 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH2OCHO + H <=> CH3OCHO # Reaction 470 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH3OCO + H <=> CH3OCHO # Reaction 471 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH3OCHO + O2 <=> CH3OCO + HO2 # Reaction 472 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4.97e+04} - equation: CH3OCHO + O2 <=> CH2OCHO + HO2 # Reaction 473 rate-constant: {A: 2.05e+13, b: 0.0, Ea: 5.2e+04} - equation: CH3OCHO + OH <=> CH3OCO + H2O # Reaction 474 rate-constant: {A: 1.58e+07, b: 1.8, Ea: 934.0} - equation: CH3OCHO + OH <=> CH2OCHO + H2O # Reaction 475 rate-constant: {A: 5.27e+09, b: 0.97, Ea: 1586.0} - equation: CH3OCHO + HO2 <=> CH3OCO + H2O2 # Reaction 476 rate-constant: {A: 4820.0, b: 2.6, Ea: 1.391e+04} - equation: CH3OCHO + HO2 <=> CH2OCHO + H2O2 # Reaction 477 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: CH3OCHO + O <=> CH3OCO + OH # Reaction 478 rate-constant: {A: 2.755e+05, b: 2.45, Ea: 2830.0} - equation: CH3OCHO + O <=> CH2OCHO + OH # Reaction 479 rate-constant: {A: 9.8e+05, b: 2.43, Ea: 4750.0} - equation: CH3OCHO + H <=> CH3OCO + H2 # Reaction 480 rate-constant: {A: 6.5e+05, b: 2.4, Ea: 4471.0} - equation: CH3OCHO + H <=> CH2OCHO + H2 # Reaction 481 rate-constant: {A: 6.65e+05, b: 2.54, Ea: 6756.0} - equation: CH3OCHO + CH3 <=> CH3OCO + CH4 # Reaction 482 rate-constant: {A: 0.755, b: 3.46, Ea: 5481.0} - equation: CH3OCHO + CH3 <=> CH2OCHO + CH4 # Reaction 483 rate-constant: {A: 0.452, b: 3.65, Ea: 7154.0} - equation: CH3OCHO + CH3O <=> CH3OCO + CH3OH # Reaction 484 rate-constant: {A: 5.48e+11, b: 0.0, Ea: 5000.0} - equation: CH3OCHO + CH3O <=> CH2OCHO + CH3OH # Reaction 485 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: CH3OCHO + CH3O2 <=> CH3OCO + CH3O2H # Reaction 486 rate-constant: {A: 4820.0, b: 2.6, Ea: 1.391e+04} - equation: CH3OCHO + CH3O2 <=> CH2OCHO + CH3O2H # Reaction 487 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: CH3OCHO + HCO <=> CH3OCO + CH2O # Reaction 488 rate-constant: {A: 5.4e+06, b: 1.9, Ea: 1.701e+04} - equation: CH3OCHO + HCO <=> CH2OCHO + CH2O # Reaction 489 rate-constant: {A: 1.025e+05, b: 2.5, Ea: 1.843e+04} - equation: CH3OCO <=> CH2OCHO # Reaction 490 rate-constant: {A: 1.629e+12, b: -0.18, Ea: 4.067e+04} - equation: CH3OCO <=> CH3 + CO2 # Reaction 491 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 9.72e+12, b: -1.31, Ea: 9416.7} - {P: 1.0 atm, A: 1.25e+16, b: -1.83, Ea: 1.13408e+04} - {P: 10.0 atm, A: 1.04e+18, b: -2.1, Ea: 1.28269e+04} - {P: 100.0 atm, A: 8.69e+17, b: -1.81, Ea: 1.36567e+04} - equation: CH3OCO <=> CH3O + CO # Reaction 492 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.05 atm, A: 1030.0, b: 1.29, Ea: 2.5401e+04} - {P: 1.0 atm, A: 4.09e+05, b: 0.81, Ea: 2.19691e+04} - {P: 10.0 atm, A: 9.02e+14, b: -1.72, Ea: 2.17675e+04} - {P: 100.0 atm, A: 2.825e+22, b: -3.44, Ea: 2.35924e+04} - equation: CH2O + HCO <=> CH2OCHO # Reaction 493 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.19e+04} - equation: C3H8 (+ M) <=> CH3 + C2H5 (+ M) # Reaction 494 type: falloff low-P-rate-constant: {A: 5.64e+74, b: -15.74, Ea: 9.8714e+04} high-P-rate-constant: {A: 1.29e+37, b: -5.84, Ea: 9.738e+04} Troe: {A: 0.31, T3: 50.0, T1: 3000.0, T2: 9000.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, HE: 0.7} - equation: NC3H7 + H <=> C3H8 # Reaction 495 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: IC3H7 + H <=> C3H8 # Reaction 496 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C3H8 + IC3H7 <=> NC3H7 + C3H8 # Reaction 497 rate-constant: {A: 3.0e+10, b: 0.0, Ea: 1.29e+04} - equation: C3H8 + O2 <=> IC3H7 + HO2 # Reaction 498 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C3H8 + H <=> IC3H7 + H2 # Reaction 499 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C3H8 + O <=> IC3H7 + OH # Reaction 500 rate-constant: {A: 5.49e+05, b: 2.5, Ea: 3140.0} - equation: C3H8 + OH <=> IC3H7 + H2O # Reaction 501 rate-constant: {A: 4.67e+07, b: 1.61, Ea: -35.0} - equation: C3H8 + HO2 <=> IC3H7 + H2O2 # Reaction 502 rate-constant: {A: 63.2, b: 3.37, Ea: 1.372e+04} - equation: C3H8 + CH3 <=> IC3H7 + CH4 # Reaction 503 rate-constant: {A: 6.4e+04, b: 2.17, Ea: 7520.0} - equation: C3H8 + C2H3 <=> IC3H7 + C2H4 # Reaction 504 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C3H8 + C2H5 <=> IC3H7 + C2H6 # Reaction 505 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C3H8 + C3H5-A <=> IC3H7 + C3H6 # Reaction 506 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 1.62e+04} - equation: C3H8 + CH3O <=> IC3H7 + CH3OH # Reaction 507 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: C3H8 + CH3O2 <=> IC3H7 + CH3O2H # Reaction 508 rate-constant: {A: 10.19, b: 3.58, Ea: 1.481e+04} - equation: C3H8 + C2H5O2 <=> IC3H7 + C2H5O2H # Reaction 509 rate-constant: {A: 10.19, b: 3.58, Ea: 1.481e+04} - equation: C3H8 + NC3H7O2 <=> IC3H7 + NC3H7O2H # Reaction 510 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: C3H8 + CH3CO3 <=> IC3H7 + CH3CO3H # Reaction 511 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: C3H8 + O2CHO <=> IC3H7 + HO2CHO # Reaction 512 rate-constant: {A: 1.475e+04, b: 2.6, Ea: 1.391e+04} - equation: C3H8 + IC3H7O2 <=> IC3H7 + IC3H7O2H # Reaction 513 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: C3H8 + O2 <=> NC3H7 + HO2 # Reaction 514 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C3H8 + H <=> NC3H7 + H2 # Reaction 515 rate-constant: {A: 3.49e+05, b: 2.69, Ea: 6450.0} - equation: C3H8 + O <=> NC3H7 + OH # Reaction 516 rate-constant: {A: 3.71e+06, b: 2.4, Ea: 5505.0} - equation: C3H8 + OH <=> NC3H7 + H2O # Reaction 517 rate-constant: {A: 1.054e+10, b: 0.97, Ea: 1586.0} - equation: C3H8 + HO2 <=> NC3H7 + H2O2 # Reaction 518 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: C3H8 + CH3 <=> NC3H7 + CH4 # Reaction 519 rate-constant: {A: 0.904, b: 3.65, Ea: 7154.0} - equation: C3H8 + C2H3 <=> NC3H7 + C2H4 # Reaction 520 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C3H8 + C2H5 <=> NC3H7 + C2H6 # Reaction 521 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C3H8 + C3H5-A <=> NC3H7 + C3H6 # Reaction 522 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 2.05e+04} - equation: C3H8 + CH3O <=> NC3H7 + CH3OH # Reaction 523 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: C3H8 + CH3O2 <=> NC3H7 + CH3O2H # Reaction 524 rate-constant: {A: 1.386, b: 3.97, Ea: 1.828e+04} - equation: C3H8 + C2H5O2 <=> NC3H7 + C2H5O2H # Reaction 525 rate-constant: {A: 1.386, b: 3.97, Ea: 1.828e+04} - equation: C3H8 + NC3H7O2 <=> NC3H7 + NC3H7O2H # Reaction 526 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C3H8 + IC3H7O2 <=> NC3H7 + IC3H7O2H # Reaction 527 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C3H8 + CH3CO3 <=> NC3H7 + CH3CO3H # Reaction 528 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C3H8 + O2CHO <=> NC3H7 + HO2CHO # Reaction 529 rate-constant: {A: 5.52e+04, b: 2.55, Ea: 1.648e+04} - equation: IC3H7 + H <=> C2H5 + CH3 # Reaction 530 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: IC3H7 + OH <=> C3H6 + H2O # Reaction 531 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} - equation: IC3H7 + O <=> CH3COCH3 + H # Reaction 532 rate-constant: {A: 4.818e+13, b: 0.0, Ea: 0.0} - equation: IC3H7 + O <=> CH3CHO + CH3 # Reaction 533 rate-constant: {A: 4.818e+13, b: 0.0, Ea: 0.0} - equation: NC3H7 + HO2 <=> NC3H7O + OH # Reaction 534 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7 + CH3O2 <=> NC3H7O + CH3O # Reaction 535 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7 + HO2 <=> IC3H7O + OH # Reaction 536 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7 + CH3O2 <=> IC3H7O + CH3O # Reaction 537 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C2H5 + CH2O <=> NC3H7O # Reaction 538 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 3496.0} - equation: C2H5CHO + H <=> NC3H7O # Reaction 539 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 6260.0} - equation: CH3 + CH3CHO <=> IC3H7O # Reaction 540 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9256.0} - equation: CH3COCH3 + H <=> IC3H7O # Reaction 541 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 7270.0} - equation: IC3H7O + O2 <=> CH3COCH3 + HO2 # Reaction 542 rate-constant: {A: 9.09e+09, b: 0.0, Ea: 390.0} - equation: NC3H7 + O2 <=> C3H6 + HO2 # Reaction 543 rate-constant: {A: 1.312e-09, b: 5.66, Ea: 3050.0} duplicate: true - equation: NC3H7 + O2 <=> C3H6 + HO2 # Reaction 544 rate-constant: {A: 8.047, b: 3.32, Ea: 6470.0} duplicate: true - equation: NC3H7 + O2 <=> NC3H7O2 # Reaction 545 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 9.2e+08, b: 0.405, Ea: -4398.65} - {P: 0.1 atm, A: 1.45e+14, b: -0.984, Ea: -1710.8} - {P: 1.0 atm, A: 2.09e+13, b: -0.499, Ea: -938.423} - {P: 10.0 atm, A: 1.15e+20, b: -2.42, Ea: 2451.26} - {P: 100.0 atm, A: 2.07e+16, b: -1.3, Ea: 803.419} - equation: IC3H7 + O2 <=> IC3H7O2 # Reaction 546 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.33e+05, b: 1.33, Ea: -6345.64} - {P: 0.1 atm, A: 2.24e+11, b: -0.105, Ea: -3697.87} - {P: 1.0 atm, A: 1.54e+18, b: -2.02, Ea: -498.567} - {P: 10.0 atm, A: 6.74e+27, b: -4.85, Ea: 3779.82} - {P: 100.0 atm, A: 1.67e+29, b: -5.15, Ea: 5036.45} - equation: IC3H7O2 <=> C3H6 + HO2 # Reaction 547 rate-constant: {A: 1.224e+09, b: 1.28, Ea: 3.0e+04} - equation: NC3H7O2 <=> C3H6 + HO2 # Reaction 548 rate-constant: {A: 6.24e+08, b: 1.25, Ea: 2.96e+04} - equation: NC3H7O2 <=> C3H6OOH1-2 # Reaction 549 rate-constant: {A: 4.09e+08, b: 1.1, Ea: 3.01e+04} - equation: NC3H7O2 <=> C3H6OOH1-3 # Reaction 550 rate-constant: {A: 3.566e+06, b: 1.6, Ea: 2.1e+04} - equation: IC3H7O2 <=> C3H6OOH2-1 # Reaction 551 rate-constant: {A: 2.917e+09, b: 1.1, Ea: 3.35e+04} - equation: C3H6OOH1-2 <=> C3H6O1-2 + OH # Reaction 552 rate-constant: {A: 1.21e+09, b: 1.05, Ea: 1.13e+04} - equation: C3H6OOH1-3 <=> C3H6O1-3 + OH # Reaction 553 rate-constant: {A: 2.64e+09, b: 0.71, Ea: 1.85e+04} - equation: C3H6OOH1-2 <=> C3H6 + HO2 # Reaction 554 rate-constant: {A: 2.34e+10, b: 0.77, Ea: 1.53e+04} - equation: C3H6OOH1-3 => OH + CH2O + C2H4 # Reaction 555 rate-constant: {A: 2.89e+09, b: 1.3, Ea: 2.67e+04} - equation: C3H6OOH2-1 <=> C2H3OOH + CH3 # Reaction 556 rate-constant: {A: 8.56e+10, b: 0.85, Ea: 3.07e+04} - equation: C3H6OOH1-2 => C2H4 + CH2O + OH # Reaction 557 rate-constant: {A: 1.31e+33, b: -7.01, Ea: 4.812e+04} - equation: C3H6OOH1-2 + O2 <=> C3H6OOH1-2O2 # Reaction 558 rate-constant: {A: 1.744e+14, b: -0.816, Ea: -536.5} - equation: C3H6OOH1-3 + O2 <=> C3H6OOH1-3O2 # Reaction 559 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: C3H6OOH2-1 + O2 <=> C3H6OOH2-1O2 # Reaction 560 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: C3H6OOH1-2O2 <=> C3H51-2,3OOH # Reaction 561 rate-constant: {A: 2.917e+09, b: 1.1, Ea: 3.35e+04} - equation: C3H6OOH1-3O2 <=> C3H52-1,3OOH # Reaction 562 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C3H6OOH2-1O2 <=> C3H51-2,3OOH # Reaction 563 rate-constant: {A: 3.566e+06, b: 1.6, Ea: 2.1e+04} - equation: C3H51-2,3OOH <=> AC3H5OOH + HO2 # Reaction 564 rate-constant: {A: 2.56e+13, b: -0.49, Ea: 1.777e+04} - equation: C3H52-1,3OOH <=> AC3H5OOH + HO2 # Reaction 565 rate-constant: {A: 1.15e+14, b: -0.63, Ea: 1.725e+04} - equation: C3H51-2,3OOH <=> C3H5O1-2OOH-3 + OH # Reaction 566 rate-constant: {A: 4.45e+09, b: 0.86, Ea: 1.08e+04} - equation: C3H51-2,3OOH <=> C3H5O1-3OOH-2 + OH # Reaction 567 rate-constant: {A: 2.64e+09, b: 0.71, Ea: 1.85e+04} - equation: C3H52-1,3OOH <=> C3H5O1-2OOH-3 + OH # Reaction 568 rate-constant: {A: 1.21e+09, b: 1.05, Ea: 1.13e+04} - equation: C3H5O1-2OOH-3 => CH2CHO + CH2O + OH # Reaction 569 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: C3H5O1-3OOH-2 => CH2CHO + CH2O + OH # Reaction 570 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: C3H6OOH1-2O2 <=> C3KET12 + OH # Reaction 571 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 2.64e+04} - equation: C3H6OOH1-3O2 <=> C3KET13 + OH # Reaction 572 rate-constant: {A: 7.5e+10, b: 0.0, Ea: 2.14e+04} - equation: C3H6OOH2-1O2 <=> C3KET21 + OH # Reaction 573 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 2.385e+04} - equation: C3KET12 => CH3CHO + HCO + OH # Reaction 574 rate-constant: {A: 9.5e+15, b: 0.0, Ea: 4.254e+04} - equation: C3KET13 => CH2O + CH2CHO + OH # Reaction 575 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: C3KET21 => CH2O + CH3CO + OH # Reaction 576 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: C3KET21 => OH + CH2O + CO + CH3 # Reaction 577 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: C2H3OOH <=> CH2CHO + OH # Reaction 578 rate-constant: {A: 8.4e+14, b: 0.0, Ea: 4.3e+04} - equation: C2H3OOH => CH2CO + H + OH # Reaction 579 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: C3KET21 <=> CH3COCH2O + OH # Reaction 580 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.49e+58, b: -13.9, Ea: 5.42669e+04} - {P: 0.1 atm, A: 1.8e+54, b: -12.4, Ea: 5.41938e+04} - {P: 1.0 atm, A: 3.36e+46, b: -9.81, Ea: 5.24685e+04} - {P: 10.0 atm, A: 2.39e+36, b: -6.54, Ea: 4.9429e+04} - {P: 100.0 atm, A: 1.28e+27, b: -3.61, Ea: 4.63331e+04} - equation: NC3H7O2H <=> NC3H7O + OH # Reaction 581 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.25e+04} - equation: NC3H7O2 + H2 <=> NC3H7O2H + H # Reaction 582 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: NC3H7O2 + HO2 <=> NC3H7O2H + O2 # Reaction 583 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: NC3H7O2 + CH2O <=> NC3H7O2H + HCO # Reaction 584 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.36e+04} - equation: NC3H7O2 + CH4 <=> NC3H7O2H + CH3 # Reaction 585 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 2.464e+04} - equation: NC3H7O2 + CH3OH <=> NC3H7O2H + CH2OH # Reaction 586 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: NC3H7O2 + CH3CHO <=> NC3H7O2H + CH3CO # Reaction 587 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: NC3H7O2 + C2H4 <=> NC3H7O2H + C2H3 # Reaction 588 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: NC3H7O2 + C2H6 <=> NC3H7O2H + C2H5 # Reaction 589 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: NC3H7O2 + C2H3CHO <=> NC3H7O2H + C2H3CO # Reaction 590 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: NC3H7O2 + C2H5CHO <=> NC3H7O2H + C2H5CO # Reaction 591 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9500.0} - equation: NC3H7O2 + NC3H7O2 => NC3H7O + NC3H7O + O2 # Reaction 592 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: NC3H7O2 + CH3CO3 => NC3H7O + CH3CO2 + O2 # Reaction 593 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: NC3H7O2 + C2H5O2 => NC3H7O + C2H5O + O2 # Reaction 594 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: NC3H7O2 + CH3 <=> NC3H7O + CH3O # Reaction 595 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + C2H5 <=> NC3H7O + C2H5O # Reaction 596 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + IC3H7 <=> NC3H7O + IC3H7O # Reaction 597 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + NC3H7 <=> NC3H7O + NC3H7O # Reaction 598 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + C3H5-A <=> NC3H7O + C3H5O # Reaction 599 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + CH3O2 => NC3H7O + CH3O + O2 # Reaction 600 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC3H7O + OH <=> IC3H7O2H # Reaction 601 rate-constant: {A: 1.0e+15, b: -0.8, Ea: 0.0} - equation: IC3H7O2 + H2 <=> IC3H7O2H + H # Reaction 602 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: IC3H7O2 + HO2 <=> IC3H7O2H + O2 # Reaction 603 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: IC3H7O2 + CH2O <=> IC3H7O2H + HCO # Reaction 604 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.36e+04} - equation: IC3H7O2 + CH4 <=> IC3H7O2H + CH3 # Reaction 605 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 2.464e+04} - equation: IC3H7O2 + CH3CHO <=> IC3H7O2H + CH3CO # Reaction 606 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: IC3H7O2 + C2H4 <=> IC3H7O2H + C2H3 # Reaction 607 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: IC3H7O2 + CH3OH <=> IC3H7O2H + CH2OH # Reaction 608 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: IC3H7O2 + C2H6 <=> IC3H7O2H + C2H5 # Reaction 609 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: IC3H7O2 + C2H3CHO <=> IC3H7O2H + C2H3CO # Reaction 610 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: IC3H7O2 + C2H5CHO <=> IC3H7O2H + C2H5CO # Reaction 611 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9500.0} - equation: IC3H7O2 + CH3O2 => IC3H7O + CH3O + O2 # Reaction 612 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC3H7O2 + CH3CO3 => IC3H7O + CH3CO2 + O2 # Reaction 613 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC3H7O2 + C2H5O2 => IC3H7O + C2H5O + O2 # Reaction 614 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC3H7O2 + IC3H7O2 => O2 + IC3H7O + IC3H7O # Reaction 615 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC3H7O2 + NC3H7O2 => IC3H7O + NC3H7O + O2 # Reaction 616 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC3H7O2 + CH3 <=> IC3H7O + CH3O # Reaction 617 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7O2 + C2H5 <=> IC3H7O + C2H5O # Reaction 618 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7O2 + IC3H7 <=> IC3H7O + IC3H7O # Reaction 619 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7O2 + NC3H7 <=> IC3H7O + NC3H7O # Reaction 620 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7O2 + C3H5-A <=> IC3H7O + C3H5O # Reaction 621 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C3H6O1-2 <=> C2H4 + CH2O # Reaction 622 rate-constant: {A: 6.0e+14, b: 0.0, Ea: 6.0e+04} - equation: C3H6O1-2 + OH => CH2O + C2H3 + H2O # Reaction 623 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C3H6O1-2 + H => CH2O + C2H3 + H2 # Reaction 624 rate-constant: {A: 2.63e+07, b: 2.0, Ea: 5000.0} - equation: C3H6O1-2 + O => CH2O + C2H3 + OH # Reaction 625 rate-constant: {A: 8.43e+13, b: 0.0, Ea: 5200.0} - equation: C3H6O1-2 + HO2 => CH2O + C2H3 + H2O2 # Reaction 626 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C3H6O1-2 + CH3O2 => CH2O + C2H3 + CH3O2H # Reaction 627 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C3H6O1-2 + CH3 => CH2O + C2H3 + CH4 # Reaction 628 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C3H6O1-3 <=> C2H4 + CH2O # Reaction 629 rate-constant: {A: 6.0e+14, b: 0.0, Ea: 6.0e+04} - equation: C3H6O1-3 + OH => CH2O + C2H3 + H2O # Reaction 630 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C3H6O1-3 + O => CH2O + C2H3 + OH # Reaction 631 rate-constant: {A: 8.43e+13, b: 0.0, Ea: 5200.0} - equation: C3H6O1-3 + H => CH2O + C2H3 + H2 # Reaction 632 rate-constant: {A: 2.63e+07, b: 2.0, Ea: 5000.0} - equation: C3H6O1-3 + CH3O2 => CH2O + C2H3 + CH3O2H # Reaction 633 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C3H6O1-3 + HO2 => CH2O + C2H3 + H2O2 # Reaction 634 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C3H6O1-3 + CH3 => CH2O + C2H3 + CH4 # Reaction 635 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C2H3 + CH3 (+ M) <=> C3H6 (+ M) # Reaction 636 type: falloff low-P-rate-constant: {A: 4.27e+58, b: -11.94, Ea: 9769.8} high-P-rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.175, T3: 1341.0, T1: 6.0e+04, T2: 1.014e+04} - equation: CH2(S) + C2H4 <=> CC3H6 # Reaction 637 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.44e+51, b: -13.1, Ea: 1.42e+04} - {P: 0.1 atm, A: 3.38e+54, b: -13.6, Ea: 1.65e+04} - {P: 1.0 atm, A: 1.35e+54, b: -13.0, Ea: 1.89e+04} - {P: 10.0 atm, A: 2.73e+47, b: -10.8, Ea: 1.42e+04} - {P: 100.0 atm, A: 2.71e+50, b: -11.2, Ea: 1.67e+04} - equation: CH2(S) + C2H4 <=> CC3H6 # Reaction 638 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 6.16e+40, b: -10.5, Ea: 5428.1} - {P: 0.1 atm, A: 6.93e+41, b: -10.3, Ea: 6188.9} - {P: 1.0 atm, A: 1.81e+37, b: -8.55, Ea: 5521.0} - {P: 10.0 atm, A: 4.26e+37, b: -8.32, Ea: 4770.2} - {P: 100.0 atm, A: 4.68e+35, b: -7.37, Ea: 4689.1} - equation: CH2(S) + C2H4 <=> C3H6 # Reaction 639 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.82e+57, b: -14.3, Ea: 1.71e+04} - {P: 0.1 atm, A: 3.84e+59, b: -14.4, Ea: 1.84e+04} - {P: 1.0 atm, A: 2.13e+58, b: -13.5, Ea: 2.04e+04} - {P: 10.0 atm, A: 8.48e+52, b: -11.6, Ea: 2.07e+04} - {P: 100.0 atm, A: 6.07e+47, b: -9.85, Ea: 2.21e+04} - equation: CH2(S) + C2H4 <=> C3H6 # Reaction 640 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.15e+45, b: -11.1, Ea: 6145.2} - {P: 0.1 atm, A: 1.83e+45, b: -10.7, Ea: 6638.5} - {P: 1.0 atm, A: 1.3e+40, b: -8.77, Ea: 5863.8} - {P: 10.0 atm, A: 2.27e+32, b: -6.14, Ea: 4317.9} - {P: 100.0 atm, A: 1.28e+24, b: -3.49, Ea: 2529.9} - equation: CH2(S) + C2H4 <=> C3H5-A + H # Reaction 641 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 8.2e+19, b: -2.06, Ea: 1150.0} - {P: 0.1 atm, A: 2.27e+21, b: -2.44, Ea: 2650.0} - {P: 1.0 atm, A: 4.44e+35, b: -6.55, Ea: 1.39e+04} - {P: 10.0 atm, A: 1.18e+28, b: -4.09, Ea: 1.4e+04} - {P: 100.0 atm, A: 6.51e+26, b: -3.58, Ea: 1.89e+04} - equation: CH2(S) + C2H4 <=> C3H5-A + H # Reaction 642 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.08e+07, b: 1.62, Ea: -3174.6} - {P: 0.1 atm, A: 1.37e+05, b: 2.15, Ea: -3799.2} - {P: 1.0 atm, A: 3.89e+14, b: -0.42, Ea: 1237.6} - {P: 10.0 atm, A: 2.45e+10, b: 0.67, Ea: 750.93} - {P: 100.0 atm, A: 181.0, b: 2.97, Ea: -746.03} - equation: CH2(S) + C2H4 <=> C2H3 + CH3 # Reaction 643 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.77e+19, b: -1.94, Ea: 6790.0} - {P: 0.1 atm, A: 1.68e+19, b: -1.8, Ea: 4310.0} - {P: 1.0 atm, A: 4.16e+24, b: -3.19, Ea: 9760.0} - {P: 10.0 atm, A: 7.89e+24, b: -3.07, Ea: 1.39e+04} - {P: 100.0 atm, A: 7.36e+29, b: -4.28, Ea: 2.38e+04} - equation: CH2(S) + C2H4 <=> C2H3 + CH3 # Reaction 644 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.3e+12, b: 0.19, Ea: -110.41} - {P: 0.1 atm, A: 2.26e+11, b: 0.54, Ea: 47.81} - {P: 1.0 atm, A: 4.92e+09, b: 1.02, Ea: 599.77} - {P: 10.0 atm, A: 1.47e+08, b: 1.33, Ea: 1228.4} - {P: 100.0 atm, A: 8.11e+10, b: 0.55, Ea: 5506.5} - equation: C2H3 + CH3 <=> C3H5-A + H # Reaction 645 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.12e+29, b: -4.95, Ea: 8000.0} - {P: 0.1 atm, A: 4.86e+30, b: -5.03, Ea: 1.13e+04} - {P: 1.0 atm, A: 5.3e+29, b: -4.57, Ea: 1.44e+04} - {P: 10.0 atm, A: 1.32e+30, b: -4.54, Ea: 1.93e+04} - {P: 100.0 atm, A: 5.16e+28, b: -4.03, Ea: 2.38e+04} - equation: C2H3 + CH3 <=> C3H5-A + H # Reaction 646 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 5.73e+15, b: -0.77, Ea: 1195.9} - {P: 0.1 atm, A: 2.06e+13, b: -0.074, Ea: 1428.7} - {P: 1.0 atm, A: 4.48e+10, b: 0.6, Ea: 1421.6} - {P: 10.0 atm, A: 4.1e+06, b: 1.71, Ea: 1056.9} - {P: 100.0 atm, A: 0.137, b: 3.91, Ea: -353.55} - equation: C3H6 <=> C2H3 + CH3 # Reaction 647 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.88e+78, b: -18.7, Ea: 1.3e+05} - {P: 0.1 atm, A: 8.73e+76, b: -17.9, Ea: 1.32e+05} - {P: 1.0 atm, A: 5.8e+75, b: -17.2, Ea: 1.34e+05} - {P: 10.0 atm, A: 8.12e+71, b: -15.8, Ea: 1.36e+05} - {P: 100.0 atm, A: 2.15e+64, b: -13.4, Ea: 1.35e+05} - equation: C3H6 <=> C2H3 + CH3 # Reaction 648 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.69e+59, b: -13.6, Ea: 1.1329e+05} - {P: 0.1 atm, A: 2.0e+60, b: -13.7, Ea: 1.1489e+05} - {P: 1.0 atm, A: 6.7e+54, b: -11.8, Ea: 1.1384e+05} - {P: 10.0 atm, A: 1.06e+47, b: -9.27, Ea: 1.1151e+05} - {P: 100.0 atm, A: 7.29e+38, b: -6.7, Ea: 1.0874e+05} - equation: C3H6 <=> C3H5-A + H # Reaction 649 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 9.16e+74, b: -17.6, Ea: 1.2e+05} - {P: 0.1 atm, A: 1.73e+70, b: -16.0, Ea: 1.2e+05} - {P: 1.0 atm, A: 1.08e+71, b: -15.9, Ea: 1.2486e+05} - {P: 10.0 atm, A: 6.4e+65, b: -14.2, Ea: 1.25e+05} - {P: 100.0 atm, A: 8.05e+56, b: -11.5, Ea: 1.22e+05} - equation: C3H6 <=> C3H5-A + H # Reaction 650 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.98e+54, b: -12.3, Ea: 1.012e+05} - {P: 0.1 atm, A: 1.37e+43, b: -8.87, Ea: 9.6365e+04} - {P: 1.0 atm, A: 6.28e+42, b: -8.51, Ea: 9.8004e+04} - {P: 10.0 atm, A: 4.73e+35, b: -6.26, Ea: 9.5644e+04} - {P: 100.0 atm, A: 4.34e+28, b: -4.06, Ea: 9.3114e+04} - equation: C3H6 <=> CC3H6 # Reaction 651 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.26e+64, b: -15.6, Ea: 9.5e+04} - {P: 0.1 atm, A: 3.94e+67, b: -16.2, Ea: 1.01e+05} - {P: 1.0 atm, A: 6.14e+68, b: -16.2, Ea: 1.06e+05} - {P: 10.0 atm, A: 9.7e+66, b: -15.3, Ea: 1.09e+05} - {P: 100.0 atm, A: 1.45e+62, b: -13.6, Ea: 1.1e+05} - equation: C3H6 <=> CC3H6 # Reaction 652 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.84e+41, b: -9.62, Ea: 7.9528e+04} - {P: 0.1 atm, A: 8.07e+44, b: -10.2, Ea: 8.2671e+04} - {P: 1.0 atm, A: 1.15e+47, b: -10.6, Ea: 8.5502e+04} - {P: 10.0 atm, A: 1.33e+39, b: -7.98, Ea: 8.3303e+04} - {P: 100.0 atm, A: 4.97e+31, b: -5.6, Ea: 8.0987e+04} - equation: CC3H6 <=> C3H5-A + H # Reaction 653 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.33e+63, b: -14.6, Ea: 1.03e+05} - {P: 0.1 atm, A: 7.03e+63, b: -14.4, Ea: 1.07e+05} - {P: 1.0 atm, A: 5.07e+64, b: -14.3, Ea: 1.12e+05} - {P: 10.0 atm, A: 4.92e+61, b: -13.2, Ea: 1.15e+05} - {P: 100.0 atm, A: 4.82e+57, b: -11.7, Ea: 1.18e+05} - equation: CC3H6 <=> C3H5-A + H # Reaction 654 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.12e+40, b: -8.37, Ea: 8.5836e+04} - {P: 0.1 atm, A: 1.06e+41, b: -8.33, Ea: 8.8499e+04} - {P: 1.0 atm, A: 8.23e+43, b: -8.88, Ea: 9.2907e+04} - {P: 10.0 atm, A: 1.27e+39, b: -7.33, Ea: 9.3401e+04} - {P: 100.0 atm, A: 1.45e+28, b: -4.02, Ea: 9.0995e+04} - equation: CC3H6 <=> C2H3 + CH3 # Reaction 655 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 8.31e+64, b: -15.1, Ea: 1.11e+05} - {P: 0.1 atm, A: 8.29e+64, b: -14.7, Ea: 1.14e+05} - {P: 1.0 atm, A: 1.0e+70, b: -15.7, Ea: 1.22e+05} - {P: 10.0 atm, A: 1.66e+67, b: -14.6, Ea: 1.24e+05} - {P: 100.0 atm, A: 7.87e+62, b: -13.1, Ea: 1.27e+05} - equation: CC3H6 <=> C2H3 + CH3 # Reaction 656 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.51e+49, b: -11.0, Ea: 9.9748e+04} - {P: 0.1 atm, A: 1.05e+45, b: -9.46, Ea: 9.9275e+04} - {P: 1.0 atm, A: 3.39e+50, b: -10.6, Ea: 1.0422e+05} - {P: 10.0 atm, A: 1.76e+47, b: -9.43, Ea: 1.0493e+05} - {P: 100.0 atm, A: 1.88e+39, b: -6.93, Ea: 1.0398e+05} - equation: C3H5-T + H <=> C3H6 # Reaction 657 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 4.96e+60, b: -15.2, Ea: 1.8e+04} - {P: 0.1 atm, A: 3.2e+62, b: -15.1, Ea: 2.01e+04} - {P: 1.0 atm, A: 2.31e+60, b: -14.0, Ea: 2.19e+04} - {P: 10.0 atm, A: 3.69e+54, b: -12.0, Ea: 2.21e+04} - {P: 100.0 atm, A: 1.15e+50, b: -10.4, Ea: 2.33e+04} - equation: C3H5-T + H <=> C3H6 # Reaction 658 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.49e+48, b: -12.0, Ea: 7203.3} - {P: 0.1 atm, A: 6.76e+46, b: -11.1, Ea: 7629.9} - {P: 1.0 atm, A: 1.09e+40, b: -8.66, Ea: 6447.8} - {P: 10.0 atm, A: 2.38e+31, b: -5.73, Ea: 4506.0} - {P: 100.0 atm, A: 5.69e+25, b: -3.83, Ea: 3250.4} - equation: C3H5-T + H <=> C3H5-A + H # Reaction 659 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 2.11e+17, b: -1.08, Ea: 1290.0} - {P: 0.1 atm, A: 9.05e+29, b: -4.91, Ea: 8540.0} - {P: 1.0 atm, A: 2.98e+30, b: -4.79, Ea: 1.2e+04} - {P: 10.0 atm, A: 8.22e+28, b: -4.14, Ea: 1.54e+04} - {P: 100.0 atm, A: 2.28e+29, b: -4.12, Ea: 2.09e+04} - equation: C3H5-T + H <=> C3H5-A + H # Reaction 660 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 6410.0, b: 2.61, Ea: -3778.4} - {P: 0.1 atm, A: 5.19e+14, b: -0.3, Ea: 1090.4} - {P: 1.0 atm, A: 8.17e+11, b: 0.49, Ea: 1184.6} - {P: 10.0 atm, A: 2.79e+09, b: 1.09, Ea: 1187.5} - {P: 100.0 atm, A: 6750.0, b: 2.7, Ea: 373.8} - equation: C3H5-T + H <=> C2H3 + CH3 # Reaction 661 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 3.31e+16, b: -0.69, Ea: 5200.0} - {P: 0.1 atm, A: 9.04e+16, b: -0.81, Ea: 4800.0} - {P: 1.0 atm, A: 2.01e+24, b: -2.86, Ea: 1.09e+04} - {P: 10.0 atm, A: 2.75e+26, b: -3.31, Ea: 1.58e+04} - {P: 100.0 atm, A: 3.15e+32, b: -4.83, Ea: 2.6e+04} - equation: C3H5-T + H <=> C2H3 + CH3 # Reaction 662 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 8.04e+13, b: -0.14, Ea: 1150.0} - {P: 0.1 atm, A: 7.17e+10, b: 0.67, Ea: 673.8} - {P: 1.0 atm, A: 9.97e+08, b: 1.36, Ea: 1596.4} - {P: 10.0 atm, A: 7.41e+07, b: 1.57, Ea: 2108.8} - {P: 100.0 atm, A: 2.7e+12, b: 0.32, Ea: 6791.8} - equation: C3H6 <=> C3H5-S + H # Reaction 663 rate-constant: {A: 7.71e+69, b: -16.09, Ea: 1.4e+05} - equation: C3H6 + H <=> C3H5-A + H2 # Reaction 664 rate-constant: {A: 3.644e+05, b: 2.455, Ea: 4361.2} - equation: C3H6 + O2 <=> C3H5-A + HO2 # Reaction 665 rate-constant: {A: 5.96e+19, b: -1.67, Ea: 4.61921e+04} - equation: C3H6 + O <=> C3H5-A + OH # Reaction 666 rate-constant: {A: 5.24e+11, b: 0.7, Ea: 5884.0} - equation: C3H6 + OH <=> C3H5-A + H2O # Reaction 667 rate-constant: {A: 4.46e+06, b: 2.072, Ea: 1050.8} - equation: C3H6 + HO2 <=> C3H5-A + H2O2 # Reaction 668 rate-constant: {A: 0.0307, b: 4.403, Ea: 1.35472e+04} - equation: C3H6 + CH3 <=> C3H5-A + CH4 # Reaction 669 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: C3H6 + CH3O <=> C3H5-A + CH3OH # Reaction 670 rate-constant: {A: 8.4e+10, b: 0.0, Ea: 2600.0} - equation: C3H6 + CH3O2 <=> C3H5-A + CH3O2H # Reaction 671 rate-constant: {A: 0.0768, b: 4.403, Ea: 1.35472e+04} - equation: C3H6 + C2H5 <=> C3H5-A + C2H6 # Reaction 672 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9800.0} - equation: C3H6 + C2H5O2 <=> C3H5-A + C2H5O2H # Reaction 673 rate-constant: {A: 0.0768, b: 4.403, Ea: 1.35472e+04} - equation: C3H6 + CH3CO3 <=> C3H5-A + CH3CO3H # Reaction 674 rate-constant: {A: 0.0768, b: 4.403, Ea: 1.35472e+04} - equation: C3H6 + NC3H7O2 <=> C3H5-A + NC3H7O2H # Reaction 675 rate-constant: {A: 0.0768, b: 4.403, Ea: 1.35472e+04} - equation: C3H6 + IC3H7O2 <=> C3H5-A + IC3H7O2H # Reaction 676 rate-constant: {A: 0.0768, b: 4.403, Ea: 1.35472e+04} - equation: C3H6 + H <=> C3H5-T + H2 # Reaction 677 rate-constant: {A: 149.8, b: 3.381, Ea: 8909.5} - equation: C3H6 + O <=> C3H5-T + OH # Reaction 678 rate-constant: {A: 6.03e+10, b: 0.7, Ea: 7632.0} - equation: C3H6 + OH <=> C3H5-T + H2O # Reaction 679 rate-constant: {A: 1.8e+06, b: 1.979, Ea: 2235.2} - equation: C3H6 + HO2 <=> C3H5-T + H2O2 # Reaction 680 rate-constant: {A: 1.56e+04, b: 2.82, Ea: 2.44279e+04} - equation: C3H6 + O2 <=> C3H5-T + HO2 # Reaction 681 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5.877e+04} - equation: C3H6 + CH3 <=> C3H5-T + CH4 # Reaction 682 rate-constant: {A: 0.84, b: 3.5, Ea: 1.166e+04} - equation: C3H6 + H <=> C3H5-S + H2 # Reaction 683 rate-constant: {A: 510.1, b: 3.234, Ea: 1.2357e+04} duplicate: true - equation: C3H6 + H <=> C3H5-S + H2 # Reaction 684 rate-constant: {A: 396.9, b: 3.252, Ea: 1.2007e+04} duplicate: true - equation: C3H6 + O2 <=> C3H5-S + HO2 # Reaction 685 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 6.227e+04} - equation: C3H6 + O <=> C3H5-S + OH # Reaction 686 rate-constant: {A: 1.2e+11, b: 0.7, Ea: 8959.1} - equation: C3H6 + OH <=> C3H5-S + H2O # Reaction 687 rate-constant: {A: 1.86e+05, b: 2.369, Ea: 2502.0} - equation: C3H6 + HO2 <=> C3H5-S + H2O2 # Reaction 688 rate-constant: {A: 957.0, b: 3.059, Ea: 2.07986e+04} - equation: C3H6 + CH3 <=> C3H5-S + CH4 # Reaction 689 rate-constant: {A: 1.348, b: 3.5, Ea: 1.285e+04} - equation: C3H6 + O <=> C2H5 + HCO # Reaction 690 rate-constant: {A: 7.45e+06, b: 1.88, Ea: 183.0} - equation: C3H6 + O => CH2CO + CH3 + H # Reaction 691 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: C3H6 + O => CH3CHCO + H + H # Reaction 692 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: C3H6 + H <=> NC3H7 # Reaction 693 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 7.99e+81, b: -23.161, Ea: 2.2239e+04} - {P: 0.04 atm, A: 4.24e+68, b: -18.427, Ea: 1.9665e+04} - {P: 1.0 atm, A: 1.04e+49, b: -11.5, Ea: 1.5359e+04} - {P: 10.0 atm, A: 6.2e+41, b: -8.892, Ea: 1.4637e+04} - {P: 100.0 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - equation: C3H6 + H <=> NC3H7 # Reaction 694 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.85e+26, b: -5.83, Ea: 3865.8} - {P: 0.04 atm, A: 2.82e+30, b: -6.49, Ea: 5470.8} - {P: 1.0 atm, A: 3.78e+28, b: -5.57, Ea: 5625.1} - {P: 10.0 atm, A: 1.46e+25, b: -4.28, Ea: 5247.8} - {P: 100.0 atm, A: 4.22e+27, b: -4.39, Ea: 9345.8} - equation: C3H6 + H <=> C2H4 + CH3 # Reaction 695 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.54e+09, b: 1.35, Ea: 2542.0} - {P: 0.04 atm, A: 7.88e+10, b: 0.87, Ea: 3599.6} - {P: 1.0 atm, A: 2.67e+12, b: 0.47, Ea: 5431.1} - {P: 10.0 atm, A: 9.25e+22, b: -2.6, Ea: 1.2898e+04} - {P: 100.0 atm, A: 1.32e+23, b: -2.42, Ea: 1.65e+04} - equation: C3H6 + H <=> C2H4 + CH3 # Reaction 696 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 0.04 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 1.0 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 10.0 atm, A: 1.24e+05, b: 2.52, Ea: 3679.1} - {P: 100.0 atm, A: 2510.0, b: 2.91, Ea: 3980.9} - equation: C3H6 + H <=> IC3H7 # Reaction 697 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.35e+44, b: -10.68, Ea: 8196.4} - {P: 0.04 atm, A: 2.11e+57, b: -14.23, Ea: 1.5147e+04} - {P: 1.0 atm, A: 3.26e+61, b: -14.94, Ea: 2.0161e+04} - {P: 10.0 atm, A: 5.3e+56, b: -13.12, Ea: 2.0667e+04} - {P: 100.0 atm, A: 1.11e+50, b: -10.8, Ea: 2.0202e+04} - equation: C3H6 + H <=> IC3H7 # Reaction 698 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 2.17e+130, b: -32.58, Ea: 1.3614e+05} - {P: 0.04 atm, A: 2.25e+29, b: -5.84, Ea: 4241.9} - {P: 1.0 atm, A: 1.06e+30, b: -5.63, Ea: 5613.4} - {P: 10.0 atm, A: 6.11e+26, b: -4.44, Ea: 5182.3} - {P: 100.0 atm, A: 2.73e+23, b: -3.26, Ea: 4597.0} - equation: C2H4 + CH3 <=> NC3H7 # Reaction 699 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 8.67e+48, b: -12.54, Ea: 1.8206e+04} - {P: 0.04 atm, A: 1.06e+49, b: -12.04, Ea: 2.0001e+04} - {P: 1.0 atm, A: 7.67e+47, b: -11.17, Ea: 2.2366e+04} - {P: 10.0 atm, A: 1.81e+45, b: -10.03, Ea: 2.3769e+04} - {P: 100.0 atm, A: 2.04e+40, b: -8.25, Ea: 2.4214e+04} - equation: C2H4 + CH3 <=> NC3H7 # Reaction 700 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.12e+43, b: -11.3, Ea: 1.308e+04} - {P: 0.04 atm, A: 7.28e+39, b: -9.88, Ea: 1.3164e+04} - {P: 1.0 atm, A: 2.6e+33, b: -7.46, Ea: 1.2416e+04} - {P: 10.0 atm, A: 3.85e+27, b: -5.38, Ea: 1.1455e+04} - {P: 100.0 atm, A: 1.66e+21, b: -3.17, Ea: 1.0241e+04} - equation: C3H6 + HO2 <=> C3H6OOH2-1 # Reaction 701 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 1.31e+13, b: -1.84, Ea: 8561.0} - {P: 0.9869 atm, A: 5.93e+17, b: -2.61, Ea: 1.1533e+04} - {P: 9.87 atm, A: 8.34e+24, b: -4.4, Ea: 1.644e+04} - {P: 98.69 atm, A: 3.75e+23, b: -3.68, Ea: 1.7965e+04} - equation: C3H6 + HO2 <=> C3H6O1-2 + OH # Reaction 702 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 3730.0, b: 2.64, Ea: 1.1173e+04} - {P: 0.9869 atm, A: 1.78e+12, b: 0.11, Ea: 1.6137e+04} - {P: 9.87 atm, A: 3.9e+17, b: -1.4, Ea: 2.0077e+04} - {P: 98.69 atm, A: 1.13e+19, b: -1.68, Ea: 2.3587e+04} - equation: C3H6 + HO2 <=> IC3H7 + O2 # Reaction 703 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 1.02e+07, b: 1.16, Ea: 1.0273e+04} - {P: 0.9869 atm, A: 1.31e+20, b: -2.58, Ea: 1.9078e+04} - {P: 9.87 atm, A: 4.14e+28, b: -4.92, Ea: 2.6212e+04} - {P: 98.69 atm, A: 8.87e+22, b: -3.09, Ea: 2.6586e+04} - equation: C3H6OOH2-1 <=> C3H6O1-2 + OH # Reaction 704 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 2.66e+35, b: -8.36, Ea: 1.8056e+04} - {P: 0.9869 atm, A: 1.96e+35, b: -7.66, Ea: 2.0595e+04} - {P: 9.87 atm, A: 2.24e+33, b: -6.75, Ea: 2.1619e+04} - {P: 98.69 atm, A: 8.48e+26, b: -4.58, Ea: 2.0278e+04} - equation: C3H5-A + H <=> C3H4-A + H2 # Reaction 705 rate-constant: {A: 1232.0, b: 3.035, Ea: 2582.0} - equation: C3H5-A + OH <=> C3H4-A + H2O # Reaction 706 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: C3H5-A + CH3 <=> C3H4-A + CH4 # Reaction 707 rate-constant: {A: 3.0e+12, b: -0.32, Ea: -131.0} - equation: C3H5-A + C2H5 <=> C3H4-A + C2H6 # Reaction 708 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 0.0} - equation: C3H5-A + C2H3 <=> C3H4-A + C2H4 # Reaction 709 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C3H4-A + C3H4-A <=> C3H5-A + C3H3 # Reaction 710 rate-constant: {A: 5.0e+14, b: 0.0, Ea: 6.47467e+04} - equation: C3H5-S + H <=> C3H4-A + H2 # Reaction 711 rate-constant: {A: 3.333e+12, b: 0.0, Ea: 0.0} - equation: C3H5-S + CH3 <=> C3H4-A + CH4 # Reaction 712 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: C3H5-S + H <=> C3H4-P + H2 # Reaction 713 rate-constant: {A: 3.34e+12, b: 0.0, Ea: 0.0} - equation: C3H5-S + CH3 <=> C3H4-P + CH4 # Reaction 714 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: C3H5-T + H <=> C3H4-P + H2 # Reaction 715 rate-constant: {A: 3.34e+12, b: 0.0, Ea: 0.0} - equation: C3H5-T + CH3 <=> C3H4-P + CH4 # Reaction 716 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: C3H5-A + C3H5-A <=> C3H4-A + C3H6 # Reaction 717 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 4.77e+40, b: -9.3, Ea: 1.247e+04} - {P: 4.0 atm, A: 3.97e+32, b: -6.8, Ea: 9180.0} - {P: 10.0 atm, A: 1.46e+28, b: -5.5, Ea: 7410.0} - equation: C3H5-A + C2H5 <=> C2H4 + C3H6 # Reaction 718 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 0.0} - equation: C3H5-A + HCO <=> C3H6 + CO # Reaction 719 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-S + HCO <=> C3H6 + CO # Reaction 720 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-T + HCO <=> C3H6 + CO # Reaction 721 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-S + O <=> C2H4 + HCO # Reaction 722 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-S + OH => C2H4 + HCO + H # Reaction 723 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C3H5-S + HO2 => C2H4 + HCO + OH # Reaction 724 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-T + O <=> CH3 + CH2CO # Reaction 725 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-T + OH => CH3 + CH2CO + H # Reaction 726 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C3H5-T + HO2 => CH3 + CH2CO + OH # Reaction 727 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-A + O <=> C2H3CHO + H # Reaction 728 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: C3H5-A + OH => C2H3CHO + H + H # Reaction 729 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 5.3e+37, b: -6.71, Ea: 2.9306e+04} - {P: 1.0 atm, A: 4.2e+32, b: -5.16, Ea: 3.0126e+04} - {P: 10.0 atm, A: 1.6e+20, b: -1.56, Ea: 2.633e+04} - equation: C3H5-A + O2 <=> C3H4-A + HO2 # Reaction 730 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 4.99e+15, b: -1.4, Ea: 2.2428e+04} - {P: 10.0 atm, A: 2.18e+21, b: -2.85, Ea: 3.0755e+04} - equation: C3H5-A + O2 <=> CH3CO + CH2O # Reaction 731 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 1.19e+15, b: -1.01, Ea: 2.0128e+04} - {P: 10.0 atm, A: 7.14e+15, b: -1.21, Ea: 2.1046e+04} - equation: C3H5-A + O2 <=> C2H3CHO + OH # Reaction 732 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 1.82e+13, b: -0.41, Ea: 2.2859e+04} - {P: 10.0 atm, A: 2.47e+13, b: -0.45, Ea: 2.3017e+04} - equation: C3H5-S + O2 <=> CH3CHO + HCO # Reaction 733 rate-constant: {A: 3.1e+31, b: -5.944, Ea: 5748.4} - equation: C3H5-S + O2 <=> CH3CHCHO + O # Reaction 734 rate-constant: {A: 5.38e+18, b: -2.14, Ea: 5142.9} - equation: C3H5-S + O2 <=> C2H3CHO + OH # Reaction 735 rate-constant: {A: 2.7e+19, b: -2.14, Ea: 5142.9} - equation: C3H5-T + O2 <=> CH3COCH2 + O # Reaction 736 rate-constant: {A: 9.86e+25, b: -3.751, Ea: 1.12554e+04} - equation: C3H5-T + O2 <=> CH3CO + CH2O # Reaction 737 rate-constant: {A: 2.55e+20, b: -2.608, Ea: 1565.7} - equation: C3H5-T + O2 <=> C3H4-A + HO2 # Reaction 738 rate-constant: {A: 3.59e+10, b: -0.27, Ea: -413.6} - equation: C3H5-A + HO2 <=> C3H5O + OH # Reaction 739 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.02e+13, b: -0.158, Ea: -1417.0} - {P: 0.1 atm, A: 4.98e+14, b: -0.642, Ea: -349.1} - {P: 1.0 atm, A: 7.77e+17, b: -1.52, Ea: 2379.2} - {P: 10.0 atm, A: 2.93e+15, b: -0.684, Ea: 3615.3} - {P: 100.0 atm, A: 1.64e+04, b: 2.74, Ea: 1144.4} - equation: C3H5-A + HO2 <=> AC3H5OOH # Reaction 740 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.91e+31, b: -7.23, Ea: 1336.2} - {P: 0.1 atm, A: 6.31e+42, b: -10.3, Ea: 5568.9} - {P: 1.0 atm, A: 1.03e+45, b: -10.6, Ea: 7851.5} - {P: 10.0 atm, A: 2.79e+37, b: -7.92, Ea: 6497.9} - {P: 100.0 atm, A: 1.44e+32, b: -6.01, Ea: 6053.6} - equation: C3H5-A + HO2 <=> C2H3CHO + H2O # Reaction 741 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.09, b: 3.01, Ea: -3421.1} - {P: 0.1 atm, A: 63.5, b: 2.5, Ea: -2341.4} - {P: 1.0 atm, A: 6.05e+05, b: 1.39, Ea: 595.1} - {P: 10.0 atm, A: 3.1e+05, b: 1.59, Ea: 2677.6} - {P: 100.0 atm, A: 5.07e-05, b: 4.59, Ea: 927.5} - equation: AC3H5OOH <=> C2H3CHO + H2O # Reaction 742 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.99e+50, b: -12.7, Ea: 5.35319e+04} - {P: 0.1 atm, A: 4.72e+47, b: -11.5, Ea: 5.43609e+04} - {P: 1.0 atm, A: 1.5e+40, b: -8.84, Ea: 5.31792e+04} - {P: 10.0 atm, A: 2.54e+28, b: -5.0, Ea: 4.99194e+04} - {P: 100.0 atm, A: 1.48e+16, b: -1.12, Ea: 4.59493e+04} - equation: AC3H5OOH <=> C3H5O + OH # Reaction 743 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.49e+58, b: -13.9, Ea: 5.42669e+04} - {P: 0.1 atm, A: 1.8e+54, b: -12.4, Ea: 5.41938e+04} - {P: 1.0 atm, A: 3.36e+46, b: -9.81, Ea: 5.24685e+04} - {P: 10.0 atm, A: 2.39e+36, b: -6.54, Ea: 4.9429e+04} - {P: 100.0 atm, A: 1.28e+27, b: -3.61, Ea: 4.63331e+04} - equation: C3H5O <=> C2H3 + CH2O # Reaction 744 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 7.26e+06, b: 0.182, Ea: 1.78155e+04} - {P: 0.01 atm, A: 6.97e+16, b: -2.5, Ea: 2.08787e+04} - {P: 0.1 atm, A: 6.64e+23, b: -4.23, Ea: 2.3565e+04} - {P: 1.0 atm, A: 1.07e+26, b: -4.56, Ea: 2.46229e+04} - {P: 10.0 atm, A: 6.5e+29, b: -5.37, Ea: 2.6645e+04} - {P: 100.0 atm, A: 4.63e+31, b: -5.59, Ea: 2.89153e+04} - {P: 1000.0 atm, A: 8.52e+25, b: -3.61, Ea: 2.78634e+04} - equation: C3H5O <=> CH2CHOCH2 # Reaction 745 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.17e+20, b: -4.15, Ea: 1.21213e+04} - {P: 0.01 atm, A: 4.79e+24, b: -5.03, Ea: 1.46061e+04} - {P: 0.1 atm, A: 1.9e+26, b: -5.16, Ea: 1.61244e+04} - {P: 1.0 atm, A: 1.51e+28, b: -5.4, Ea: 1.81654e+04} - {P: 10.0 atm, A: 2.42e+28, b: -5.17, Ea: 1.96912e+04} - {P: 100.0 atm, A: 5.57e+24, b: -3.86, Ea: 1.93952e+04} - {P: 1000.0 atm, A: 1.35e+18, b: -1.73, Ea: 1.73865e+04} - equation: C3H5O <=> CH2CH2CHO # Reaction 746 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.25e-49, b: 15.5, Ea: -1.56399e+04} - {P: 0.01 atm, A: 1.46e-88, b: 27.6, Ea: -3.5995e+04} - {P: 0.1 atm, A: 4.44e-22, b: 8.38, Ea: -3819.0} - {P: 1.0 atm, A: 6.23e+12, b: -1.44, Ea: 1.08292e+04} - {P: 10.0 atm, A: 3.48e+42, b: -9.91, Ea: 2.52979e+04} - {P: 100.0 atm, A: 1.88e+38, b: -8.16, Ea: 2.59745e+04} - {P: 1000.0 atm, A: 1.67e+21, b: -2.74, Ea: 2.03377e+04} - equation: C3H5O <=> C2H3CHO + H # Reaction 747 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.0e+15, b: -2.31, Ea: 1.46679e+04} - {P: 0.01 atm, A: 1.5e+22, b: -3.96, Ea: 1.8283e+04} - {P: 0.1 atm, A: 1.95e+23, b: -3.99, Ea: 1.91433e+04} - {P: 1.0 atm, A: 1.15e+25, b: -4.24, Ea: 2.03112e+04} - {P: 10.0 atm, A: 1.76e+28, b: -4.89, Ea: 2.27652e+04} - {P: 100.0 atm, A: 1.41e+27, b: -4.28, Ea: 2.37706e+04} - {P: 1000.0 atm, A: 2.57e+20, b: -2.06, Ea: 2.20401e+04} - equation: C3H5O <=> C2H4 + HCO # Reaction 748 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.62e+16, b: -2.84, Ea: 1.3197e+04} - {P: 0.01 atm, A: 1.26e+20, b: -3.53, Ea: 1.54692e+04} - {P: 0.1 atm, A: 2.13e+21, b: -3.64, Ea: 1.65845e+04} - {P: 1.0 atm, A: 1.07e+24, b: -4.16, Ea: 1.8985e+04} - {P: 10.0 atm, A: 8.42e+25, b: -4.4, Ea: 2.23826e+04} - {P: 100.0 atm, A: 1.86e+21, b: -2.73, Ea: 2.36588e+04} - {P: 1000.0 atm, A: 4.75e+08, b: 1.14, Ea: 2.09225e+04} - equation: CH2CHOCH2 <=> C2H3 + CH2O # Reaction 749 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.3e+09, b: -0.638, Ea: 1.97478e+04} - {P: 0.01 atm, A: 3.36e+21, b: -3.9, Ea: 2.39452e+04} - {P: 0.1 atm, A: 2.91e+29, b: -5.9, Ea: 2.72497e+04} - {P: 1.0 atm, A: 1.83e+34, b: -6.94, Ea: 3.06904e+04} - {P: 10.0 atm, A: 9.72e+33, b: -6.5, Ea: 3.30025e+04} - {P: 100.0 atm, A: 2.68e+27, b: -4.26, Ea: 3.33056e+04} - {P: 1000.0 atm, A: 8.81e+14, b: -0.326, Ea: 3.15531e+04} - equation: CH2CHOCH2 <=> CH2CH2CHO # Reaction 750 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.01e-92, b: 27.8, Ea: -3.73212e+04} - {P: 0.01 atm, A: 7.78e-11, b: 3.7, Ea: -2766.9} - {P: 0.1 atm, A: 5.11e+15, b: -2.76, Ea: 1.59376e+04} - {P: 1.0 atm, A: 4.48e+25, b: -5.2, Ea: 2.15322e+04} - {P: 10.0 atm, A: 3.97e+34, b: -7.41, Ea: 2.81169e+04} - {P: 100.0 atm, A: 5.62e+22, b: -3.56, Ea: 2.58067e+04} - {P: 1000.0 atm, A: 2.51e+20, b: -2.63, Ea: 2.92884e+04} - equation: CH2CHOCH2 <=> C2H3CHO + H # Reaction 751 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 4.93e+24, b: -5.05, Ea: 2.01084e+04} - {P: 0.01 atm, A: 2.14e+28, b: -5.8, Ea: 2.22194e+04} - {P: 0.1 atm, A: 1.93e+32, b: -6.64, Ea: 2.51082e+04} - {P: 1.0 atm, A: 8.6e+34, b: -7.11, Ea: 2.82091e+04} - {P: 10.0 atm, A: 2.17e+34, b: -6.64, Ea: 3.06476e+04} - {P: 100.0 atm, A: 4.17e+28, b: -4.71, Ea: 3.12319e+04} - {P: 1000.0 atm, A: 3.98e+18, b: -1.62, Ea: 3.01298e+04} - equation: CH2CHOCH2 <=> C2H4 + HCO # Reaction 752 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.23e+26, b: -5.84, Ea: 1.93569e+04} - {P: 0.01 atm, A: 1.32e+29, b: -6.21, Ea: 2.12936e+04} - {P: 0.1 atm, A: 3.47e+32, b: -6.96, Ea: 2.41973e+04} - {P: 1.0 atm, A: 1.44e+36, b: -7.76, Ea: 2.80078e+04} - {P: 10.0 atm, A: 9.72e+37, b: -8.02, Ea: 3.23946e+04} - {P: 100.0 atm, A: 2.43e+31, b: -5.81, Ea: 3.42958e+04} - {P: 1000.0 atm, A: 3.73e+14, b: -0.726, Ea: 3.20083e+04} - equation: CH2CH2CHO <=> C2H3 + CH2O # Reaction 753 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.89e-69, b: 21.5, Ea: 2638.0} - {P: 0.01 atm, A: 5.34e-33, b: 11.1, Ea: 1.67491e+04} - {P: 0.1 atm, A: 6.11e+26, b: -6.01, Ea: 4.41167e+04} - {P: 1.0 atm, A: 8.04e+35, b: -8.31, Ea: 4.69197e+04} - {P: 10.0 atm, A: 5.52e+40, b: -9.19, Ea: 5.05087e+04} - {P: 100.0 atm, A: 5.85e+35, b: -7.18, Ea: 5.20384e+04} - {P: 1000.0 atm, A: 1.93e+19, b: -1.94, Ea: 4.844e+04} - equation: CH2CH2CHO <=> C2H3CHO + H # Reaction 754 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.61e+10, b: -1.24, Ea: 3.23713e+04} - {P: 0.01 atm, A: 5.84e+15, b: -2.61, Ea: 3.28784e+04} - {P: 0.1 atm, A: 3.64e+23, b: -4.6, Ea: 3.42753e+04} - {P: 1.0 atm, A: 7.58e+31, b: -6.63, Ea: 3.78954e+04} - {P: 10.0 atm, A: 2.86e+32, b: -6.3, Ea: 3.99907e+04} - {P: 100.0 atm, A: 1.57e+23, b: -3.14, Ea: 3.80117e+04} - {P: 1000.0 atm, A: 4.52e+12, b: 0.214, Ea: 3.45705e+04} - equation: CH2CH2CHO <=> C2H4 + HCO # Reaction 755 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.9e+32, b: -7.24, Ea: 2.56875e+04} - {P: 0.01 atm, A: 5.3e+33, b: -7.28, Ea: 2.71006e+04} - {P: 0.1 atm, A: 2.0e+35, b: -7.41, Ea: 2.90273e+04} - {P: 1.0 atm, A: 1.01e+34, b: -6.7, Ea: 3.00181e+04} - {P: 10.0 atm, A: 9.76e+27, b: -4.63, Ea: 2.89239e+04} - {P: 100.0 atm, A: 2.11e+19, b: -1.85, Ea: 2.62398e+04} - {P: 1000.0 atm, A: 1.59e+13, b: 0.063, Ea: 2.40863e+04} - equation: C2H3 + CH2O <=> C2H3CHO + H # Reaction 756 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.6e+04, b: 2.26, Ea: 1510.3} - {P: 0.01 atm, A: 5.13e+04, b: 2.17, Ea: 1675.5} - {P: 0.1 atm, A: 3.99e+05, b: 1.91, Ea: 2218.3} - {P: 1.0 atm, A: 1.75e+07, b: 1.45, Ea: 3428.0} - {P: 10.0 atm, A: 1.35e+09, b: 0.933, Ea: 5173.0} - {P: 100.0 atm, A: 2.24e+11, b: 0.357, Ea: 8001.3} - {P: 1000.0 atm, A: 6.01e+05, b: 2.09, Ea: 7895.6} - equation: C2H3 + CH2O <=> C2H4 + HCO # Reaction 757 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.11e+07, b: 1.09, Ea: 1807.2} - {P: 0.01 atm, A: 2.47e+07, b: 0.993, Ea: 1994.9} - {P: 0.1 atm, A: 2.47e+08, b: 0.704, Ea: 2596.2} - {P: 1.0 atm, A: 1.42e+10, b: 0.209, Ea: 3934.2} - {P: 10.0 atm, A: 3.45e+13, b: -0.726, Ea: 6944.3} - {P: 100.0 atm, A: 3.31e+14, b: -0.866, Ea: 1.09657e+04} - {P: 1000.0 atm, A: 16.5, b: 3.17, Ea: 9399.8} - equation: C3H5-A + CH3O2 <=> C3H5O + CH3O # Reaction 758 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.33e+12, b: -0.158, Ea: -1417.0} - {P: 0.1 atm, A: 1.66e+14, b: -0.642, Ea: -349.1} - {P: 1.0 atm, A: 2.595e+17, b: -1.52, Ea: 2379.2} - {P: 10.0 atm, A: 9.78e+14, b: -0.684, Ea: 3615.3} - {P: 100.0 atm, A: 5470.0, b: 2.74, Ea: 1144.4} - equation: C3H5-A + CH3O2 <=> AC4H7OOH # Reaction 759 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.91e+31, b: -7.23, Ea: 1336.2} - {P: 0.1 atm, A: 6.31e+42, b: -10.3, Ea: 5568.9} - {P: 1.0 atm, A: 1.03e+45, b: -10.6, Ea: 7851.5} - {P: 10.0 atm, A: 2.79e+37, b: -7.92, Ea: 6497.9} - {P: 100.0 atm, A: 3.4e+29, b: -5.28, Ea: 4539.8} - equation: AC4H7OOH <=> C3H5O + CH3O # Reaction 760 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.49e+58, b: -13.9, Ea: 5.42669e+04} - {P: 0.1 atm, A: 1.8e+54, b: -12.4, Ea: 5.41938e+04} - {P: 1.0 atm, A: 3.36e+46, b: -9.81, Ea: 5.24685e+04} - {P: 10.0 atm, A: 2.39e+36, b: -6.54, Ea: 4.9429e+04} - {P: 100.0 atm, A: 2.56e+27, b: -3.61, Ea: 4.63331e+04} - equation: C3H6 + OH <=> C3H5OH + H # Reaction 761 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 2.67e+13, b: 0.05, Ea: 1.0611e+04} - {P: 0.01 atm, A: 2.75e+13, b: 0.05, Ea: 1.0623e+04} - {P: 0.013 atm, A: 2.87e+13, b: 0.04, Ea: 1.0634e+04} - {P: 0.025 atm, A: 1.59e+14, b: -0.16, Ea: 1.1125e+04} - {P: 0.1 atm, A: 3.1e+14, b: -0.22, Ea: 1.1407e+04} - {P: 0.1315 atm, A: 3.78e+14, b: -0.24, Ea: 1.1458e+04} - {P: 1.0 atm, A: 9.15e+07, b: 1.42, Ea: 1.0087e+04} - {P: 10.0 atm, A: 3.66e+05, b: 2.14, Ea: 1.041e+04} - {P: 100.0 atm, A: 819.0, b: 2.84, Ea: 1.0481e+04} - equation: C3H6 + OH <=> C2H3OH + CH3 # Reaction 762 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 1.29e+06, b: 1.65, Ea: 1233.0} - {P: 0.01 atm, A: 1.82e+04, b: 2.1, Ea: 1162.0} - {P: 0.013 atm, A: 2040.0, b: 2.48, Ea: 1128.0} - {P: 0.025 atm, A: 288.0, b: 2.8, Ea: 1152.0} - {P: 0.1 atm, A: 14.0, b: 3.21, Ea: 1208.0} - {P: 0.1315 atm, A: 7.71, b: 3.29, Ea: 1216.0} - {P: 1.0 atm, A: 1.13e+04, b: 2.5, Ea: 3238.0} - {P: 10.0 atm, A: 2.41e+19, b: -1.74, Ea: 1.3107e+04} - {P: 100.0 atm, A: 0.33, b: 3.7, Ea: 3665.0} - equation: C3H6 + OH <=> IC3H5OH + H # Reaction 763 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 2.87, b: 2.92, Ea: 625.0} - {P: 0.01 atm, A: 0.484, b: 2.98, Ea: 704.0} - {P: 0.013 atm, A: 0.313, b: 3.04, Ea: 721.0} - {P: 0.025 atm, A: 9.33e-03, b: 3.62, Ea: 677.0} - {P: 0.1 atm, A: 4.64e-05, b: 4.48, Ea: 687.0} - {P: 0.1315 atm, A: 2.71e-05, b: 4.56, Ea: 707.0} - {P: 1.0 atm, A: 7.65e-07, b: 5.05, Ea: 874.0} - {P: 10.0 atm, A: 2.64e+15, b: -0.8, Ea: 1.2728e+04} - {P: 100.0 atm, A: 4.87e-04, b: 4.32, Ea: 4020.0} - equation: C3H6 + OH <=> SC3H5OH + H # Reaction 764 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 3.47e+06, b: 1.53, Ea: 4288.0} - {P: 0.01 atm, A: 1.08e+07, b: 1.34, Ea: 4576.0} - {P: 0.013 atm, A: 9.76e+06, b: 1.33, Ea: 4589.0} - {P: 0.025 atm, A: 5.14e+06, b: 1.36, Ea: 4594.0} - {P: 0.1 atm, A: 3.13e+05, b: 1.69, Ea: 4603.0} - {P: 0.1315 atm, A: 1.39e+05, b: 1.8, Ea: 4603.0} - {P: 1.0 atm, A: 103.0, b: 2.83, Ea: 4530.0} - {P: 10.0 atm, A: 0.034, b: 3.89, Ea: 4390.0} - {P: 100.0 atm, A: 4.46e-06, b: 5.03, Ea: 4132.0} - equation: C3H6 + OH <=> CH3CHO + CH3 # Reaction 765 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 6.93e+05, b: 1.49, Ea: -536.0} - {P: 0.01 atm, A: 5940.0, b: 2.01, Ea: -560.0} - {P: 0.013 atm, A: 1100.0, b: 2.22, Ea: -680.0} - {P: 0.025 atm, A: 107.0, b: 2.5, Ea: -759.0} - {P: 0.1 atm, A: 0.783, b: 3.1, Ea: -919.0} - {P: 0.1315 atm, A: 0.307, b: 3.22, Ea: -946.0} - {P: 1.0 atm, A: 3.16e-04, b: 4.05, Ea: -1144.0} - {P: 10.0 atm, A: 7.59e-06, b: 4.49, Ea: -680.0} - {P: 100.0 atm, A: 5.45e-05, b: 4.22, Ea: 1141.0} - equation: C3H6 + OH <=> C3H6OH1-2 # Reaction 766 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 2.3e+78, b: -20.7, Ea: 3.2402e+04} - {P: 0.01 atm, A: 2.74e+77, b: -20.0, Ea: 3.3874e+04} - {P: 0.013 atm, A: 1.07e+76, b: -19.58, Ea: 3.2874e+04} - {P: 0.025 atm, A: 3.68e+73, b: -18.79, Ea: 3.1361e+04} - {P: 0.1 atm, A: 1.04e+68, b: -17.01, Ea: 2.7909e+04} - {P: 0.1315 atm, A: 7.23e+66, b: -16.64, Ea: 2.7162e+04} - {P: 1.0 atm, A: 1.95e+59, b: -14.17, Ea: 2.3079e+04} - {P: 10.0 atm, A: 7.58e+53, b: -12.23, Ea: 2.2976e+04} - {P: 100.0 atm, A: 1.43e+48, b: -10.23, Ea: 2.3772e+04} - equation: C3H6 + OH <=> C3H6OH1-2 # Reaction 767 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 6.41e+59, b: -15.84, Ea: 1.1594e+04} - {P: 0.01 atm, A: 7.28e+59, b: -15.51, Ea: 1.2898e+04} - {P: 0.013 atm, A: 2.79e+59, b: -15.34, Ea: 1.2913e+04} - {P: 0.025 atm, A: 2.65e+58, b: -14.93, Ea: 1.2936e+04} - {P: 0.1 atm, A: 1.35e+56, b: -14.04, Ea: 1.2945e+04} - {P: 0.1315 atm, A: 3.98e+55, b: -13.85, Ea: 1.2887e+04} - {P: 1.0 atm, A: 1.55e+50, b: -12.04, Ea: 1.1493e+04} - {P: 10.0 atm, A: 6.41e+41, b: -9.35, Ea: 8921.0} - {P: 100.0 atm, A: 2.3e+32, b: -6.31, Ea: 6088.0} - equation: C3H6 + OH <=> C3H6OH2-1 # Reaction 768 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 2.14e+59, b: -15.84, Ea: 1.1594e+04} - {P: 0.01 atm, A: 2.43e+59, b: -15.51, Ea: 1.2898e+04} - {P: 0.013 atm, A: 9.3e+58, b: -15.34, Ea: 1.2913e+04} - {P: 0.025 atm, A: 8.83e+57, b: -14.93, Ea: 1.2936e+04} - {P: 0.1 atm, A: 4.5e+55, b: -14.04, Ea: 1.2945e+04} - {P: 0.1315 atm, A: 1.33e+55, b: -13.85, Ea: 1.2887e+04} - {P: 1.0 atm, A: 5.18e+49, b: -12.04, Ea: 1.1493e+04} - {P: 10.0 atm, A: 2.14e+41, b: -9.35, Ea: 8921.0} - {P: 100.0 atm, A: 7.65e+31, b: -6.31, Ea: 6088.0} - equation: C3H6 + OH <=> C3H6OH2-1 # Reaction 769 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 7.68e+77, b: -20.7, Ea: 3.2402e+04} - {P: 0.01 atm, A: 9.13e+76, b: -20.0, Ea: 3.3874e+04} - {P: 0.013 atm, A: 3.55e+75, b: -19.58, Ea: 3.2874e+04} - {P: 0.025 atm, A: 1.23e+73, b: -18.79, Ea: 3.1361e+04} - {P: 0.1 atm, A: 3.45e+67, b: -17.01, Ea: 2.7909e+04} - {P: 0.1315 atm, A: 2.41e+66, b: -16.64, Ea: 2.7162e+04} - {P: 1.0 atm, A: 6.5e+58, b: -14.17, Ea: 2.3079e+04} - {P: 10.0 atm, A: 2.53e+53, b: -12.23, Ea: 2.2976e+04} - {P: 100.0 atm, A: 4.78e+47, b: -10.23, Ea: 2.3772e+04} - equation: CH2CCH2OH + H <=> C3H5OH # Reaction 770 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C3H5OH + H <=> CH2CCH2OH + H2 # Reaction 771 rate-constant: {A: 3.9e+05, b: 2.5, Ea: 5821.0} - equation: C3H5OH + O2 <=> CH2CCH2OH + HO2 # Reaction 772 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 6.069e+04} - equation: C3H5OH + OH <=> CH2CCH2OH + H2O # Reaction 773 rate-constant: {A: 5.06e+12, b: 0.0, Ea: 5960.0} - equation: C3H5OH + CH3 <=> CH2CCH2OH + CH4 # Reaction 774 rate-constant: {A: 2.4e+11, b: 0.0, Ea: 8030.0} - equation: CH2CCH2OH + H2O2 <=> C3H5OH + HO2 # Reaction 775 rate-constant: {A: 3.01e+09, b: 0.0, Ea: 2583.0} - equation: CH2CCH2OH <=> C2H2 + CH2OH # Reaction 776 rate-constant: {A: 2.163e+40, b: -8.31, Ea: 4.511e+04} - equation: CH2CCH2OH <=> CH2O + C2H3 # Reaction 777 rate-constant: {A: 9.24e+10, b: 0.87, Ea: 3.046e+04} - equation: CH2CCH2OH <=> C2H3CHO + H # Reaction 778 rate-constant: {A: 1.11e+11, b: 0.48, Ea: 3.677e+04} - equation: CH2CCH2OH <=> HCO + C2H4 # Reaction 779 rate-constant: {A: 9.24e+10, b: 0.87, Ea: 3.046e+04} - equation: CH2CCH2OH + O2 => CH2OH + CO + CH2O # Reaction 780 rate-constant: {A: 4.335e+12, b: 0.0, Ea: 0.0} - equation: C3H5O + O2 <=> C2H3CHO + HO2 # Reaction 781 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 6000.0} - equation: CH3COCH3 + H <=> C3H6OH2-1 # Reaction 782 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 9500.0} - equation: IC3H5OH + H <=> C3H6OH2-1 # Reaction 783 rate-constant: {A: 6.25e+11, b: 0.51, Ea: 4020.0} - equation: C2H5CHO + H <=> C3H6OH1-2 # Reaction 784 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 9500.0} - equation: C3H5-T + OH <=> IC3H5OH # Reaction 785 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C3H6OH2-1 + O2 <=> CH3COCH3 + HO2 # Reaction 786 rate-constant: {A: 1.5e+12, b: 0.0, Ea: 5000.0} - equation: C3H6OH1-2 + O2 <=> C2H5CHO + HO2 # Reaction 787 rate-constant: {A: 1.5e+12, b: 0.0, Ea: 5000.0} - equation: C3H6OH1-2 + O2 <=> HOC3H6O2 # Reaction 788 rate-constant: {A: 1.2e+11, b: 0.0, Ea: -1100.0} - equation: C3H6OH2-1 + O2 <=> HOC3H6O2 # Reaction 789 rate-constant: {A: 1.2e+11, b: 0.0, Ea: -1100.0} - equation: HOC3H6O2 => CH3CHO + CH2O + OH # Reaction 790 rate-constant: {A: 1.25e+10, b: 0.0, Ea: 1.89e+04} - equation: SC3H5OH <=> C2H5CHO # Reaction 791 rate-constant: {A: 8.59e+11, b: 0.318, Ea: 5.59e+04} - equation: SC3H5OH + O2 => C2H3CHO + H + HO2 # Reaction 792 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 3.91e+04} - equation: SC3H5OH + OH => C2H3CHO + H + H2O # Reaction 793 rate-constant: {A: 3.1e+06, b: 2.0, Ea: -298.0} - equation: SC3H5OH + H => C2H3CHO + H + H2 # Reaction 794 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: SC3H5OH + O => C2H3CHO + H + OH # Reaction 795 rate-constant: {A: 1.75e+12, b: 0.7, Ea: 5884.0} - equation: SC3H5OH + HO2 => C2H3CHO + H + H2O2 # Reaction 796 rate-constant: {A: 9600.0, b: 2.6, Ea: 1.39e+04} - equation: SC3H5OH + CH3 => C2H3CHO + H + CH4 # Reaction 797 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: SC3H5OH + CH3O2 => C2H3CHO + H + CH3O2H # Reaction 798 rate-constant: {A: 9600.0, b: 2.6, Ea: 1.39e+04} - equation: SC3H5OH + CH3O => C2H3CHO + H + CH3OH # Reaction 799 rate-constant: {A: 8.3e+10, b: 0.0, Ea: 2600.0} - equation: SC3H5OH + HO2 <=> C2H5CHO + HO2 # Reaction 800 rate-constant: {A: 1.49e+05, b: 1.67, Ea: 6810.0} - equation: SC3H5OH + HOCHO <=> C2H5CHO + HOCHO # Reaction 801 rate-constant: {A: 0.0281, b: 3.286, Ea: -4509.0} - equation: C3H5-A + C2H2 <=> CVCCVCCJ # Reaction 802 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 6883.4} - equation: C3H5-A + C2H3 => C5H6 + H + H # Reaction 803 rate-constant: {A: 1.6e+35, b: -14.0, Ea: 6.11377e+04} - equation: C2H + CH3 <=> C3H4-P # Reaction 804 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 0.0} - equation: C3H4-A <=> C3H4-P # Reaction 805 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 7.762e+39, b: -7.8, Ea: 7.8446e+04} - {P: 10.0 atm, A: 4.786e+48, b: -10.0, Ea: 8.8685e+04} - equation: CC3H4 <=> C3H4-P # Reaction 806 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0395 atm, A: 2.512e+50, b: -11.82, Ea: 5.0914e+04} - {P: 1.0 atm, A: 1.23e+37, b: -7.51, Ea: 4.5551e+04} - {P: 10.0 atm, A: 1.66e+37, b: -7.24, Ea: 4.8013e+04} - equation: CC3H4 <=> C3H4-A # Reaction 807 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0395 atm, A: 9.772e+43, b: -9.97, Ea: 5.6007e+04} - {P: 1.0 atm, A: 2.512e+26, b: -4.56, Ea: 4.3922e+04} - {P: 10.0 atm, A: 5.012e+35, b: -6.87, Ea: 5.1298e+04} - equation: C3H4-P <=> C3H3 + H # Reaction 808 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 6.48e+30, b: -4.655, Ea: 9.39252e+04} - {P: 10.0 atm, A: 1.21e+25, b: -2.787, Ea: 9.23761e+04} - equation: C3H4-A <=> C3H3 + H # Reaction 809 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 1.32e+31, b: -4.749, Ea: 9.20795e+04} - {P: 10.0 atm, A: 3.65e+25, b: -2.95, Ea: 9.06249e+04} - equation: C3H3 + H <=> CC3H4 # Reaction 810 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0395 atm, A: 8.913e+112, b: -28.26, Ea: 8.3611e+04} - {P: 1.0 atm, A: 1.072e+21, b: -2.95, Ea: 2687.0} - {P: 10.0 atm, A: 3.236e+18, b: -2.05, Ea: 2053.0} - equation: C3H4-P + C3H3 <=> C3H4-A + C3H3 # Reaction 811 rate-constant: {A: 6.14e+06, b: 1.74, Ea: 1.045e+04} - equation: C3H4-P + O2 <=> C3H3 + HO2 # Reaction 812 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 4.263e+04} - equation: C3H4-P + O <=> C3H3 + OH # Reaction 813 rate-constant: {A: 7.65e+08, b: 1.5, Ea: 8600.0} - equation: C3H4-P + H <=> C3H3 + H2 # Reaction 814 rate-constant: {A: 3.572e+04, b: 2.825, Ea: 4821.0} - equation: C3H4-P + OH <=> C3H3 + H2O # Reaction 815 rate-constant: {A: 4.94e+06, b: 2.027, Ea: 1059.6} - equation: C3H4-P + HO2 <=> C3H3 + H2O2 # Reaction 816 rate-constant: {A: 0.0955, b: 4.17, Ea: 9632.8} - equation: C3H4-P + CH3 <=> C3H3 + CH4 # Reaction 817 rate-constant: {A: 1.8e+12, b: 0.0, Ea: 7700.0} - equation: C3H4-P + CH3O2 <=> C3H3 + CH3O2H # Reaction 818 rate-constant: {A: 0.0955, b: 4.17, Ea: 9632.8} - equation: C3H4-P + C2H <=> C2H2 + C3H3 # Reaction 819 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H4-P + C2H3 <=> C3H3 + C2H4 # Reaction 820 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 7700.0} - equation: C3H4-P + C3H5-A <=> C3H3 + C3H6 # Reaction 821 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 7700.0} - equation: C3H4-A + H <=> C3H3 + H2 # Reaction 822 rate-constant: {A: 6625.0, b: 3.095, Ea: 5522.0} - equation: C3H4-A + O2 <=> C3H3 + HO2 # Reaction 823 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4.132e+04} - equation: C3H4-A + OH <=> C3H3 + H2O # Reaction 824 rate-constant: {A: 1.482e+05, b: 2.492, Ea: 1807.2} - equation: C3H4-A + CH3 <=> C3H3 + CH4 # Reaction 825 rate-constant: {A: 1.3e+12, b: 0.0, Ea: 7700.0} - equation: C3H4-A + HO2 <=> C3H3 + H2O2 # Reaction 826 rate-constant: {A: 0.0358, b: 4.17, Ea: 9632.8} - equation: C3H4-A + CH3O2 <=> C3H3 + CH3O2H # Reaction 827 rate-constant: {A: 0.07161, b: 4.17, Ea: 9632.8} - equation: C3H4-A + C3H5-A <=> C3H3 + C3H6 # Reaction 828 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 7700.0} - equation: C3H4-A + H <=> C3H4-P + H # Reaction 829 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 8.49e+10, b: 0.89, Ea: 2503.0} - {P: 0.039 atm, A: 1.48e+13, b: 0.26, Ea: 4103.0} - {P: 1.0 atm, A: 2.48e+15, b: -0.33, Ea: 6436.0} - {P: 10.0 atm, A: 2.35e+25, b: -3.23, Ea: 1.3165e+04} - {P: 100.0 atm, A: 1.02e+24, b: -2.67, Ea: 1.5552e+04} - equation: C3H4-A + H <=> C3H4-P + H # Reaction 830 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 0.039 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 1.0 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 10.0 atm, A: 1.79e+07, b: 1.98, Ea: 4521.0} - {P: 100.0 atm, A: 4.63e+04, b: 2.62, Ea: 4466.0} - equation: C3H4-A + H <=> C3H5-A # Reaction 831 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 2.21e+61, b: -15.25, Ea: 2.0076e+04} - {P: 0.039 atm, A: 1.24e+52, b: -12.02, Ea: 1.7839e+04} - {P: 1.0 atm, A: 4.67e+51, b: -11.45, Ea: 2.134e+04} - {P: 10.0 atm, A: 3.75e+48, b: -10.27, Ea: 2.2511e+04} - {P: 100.0 atm, A: 4.23e+43, b: -8.61, Ea: 2.2522e+04} - equation: C3H4-A + H <=> C3H5-A # Reaction 832 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 2.8e+38, b: -8.67, Ea: 8035.0} - {P: 0.039 atm, A: 9.33e+36, b: -8.19, Ea: 7462.0} - {P: 1.0 atm, A: 3.32e+30, b: -5.78, Ea: 6913.0} - {P: 10.0 atm, A: 2.29e+26, b: -4.32, Ea: 6163.0} - {P: 100.0 atm, A: 4.38e+21, b: -2.71, Ea: 5187.0} - equation: C3H4-A + H <=> C3H5-S # Reaction 833 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.1e+30, b: -6.52, Ea: 1.52e+04} - {P: 1.0 atm, A: 5.4e+29, b: -6.09, Ea: 1.63e+04} - {P: 10.0 atm, A: 2.6e+31, b: -6.23, Ea: 1.87e+04} - {P: 100.0 atm, A: 3.2e+31, b: -5.88, Ea: 2.15e+04} - equation: C3H4-A + H <=> C3H5-T # Reaction 834 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 6.44e+102, b: -27.51, Ea: 5.1768e+04} - {P: 0.039 atm, A: 1.55e+53, b: -13.1, Ea: 1.4472e+04} - {P: 1.0 atm, A: 1.9e+53, b: -12.59, Ea: 1.6726e+04} - {P: 10.0 atm, A: 7.95e+51, b: -11.82, Ea: 1.8286e+04} - {P: 100.0 atm, A: 4.21e+52, b: -11.64, Ea: 2.2262e+04} - equation: C3H4-A + H <=> C3H5-T # Reaction 835 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.1e+54, b: -14.29, Ea: 1.0809e+04} - {P: 0.039 atm, A: 9.88e+44, b: -11.21, Ea: 8212.0} - {P: 1.0 atm, A: 2.81e+40, b: -9.42, Ea: 7850.0} - {P: 10.0 atm, A: 2.6e+35, b: -7.57, Ea: 7147.0} - {P: 100.0 atm, A: 9.88e+29, b: -5.53, Ea: 6581.0} - equation: C3H4-A + H <=> CH3 + C2H2 # Reaction 836 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.23e+08, b: 1.53, Ea: 4737.0} - {P: 0.039 atm, A: 2.72e+09, b: 1.2, Ea: 6834.0} - {P: 1.0 atm, A: 1.26e+20, b: -1.83, Ea: 1.5003e+04} - {P: 10.0 atm, A: 1.68e+16, b: -0.6, Ea: 1.4754e+04} - {P: 100.0 atm, A: 1.37e+17, b: -0.79, Ea: 1.7603e+04} - equation: C3H4-A + H <=> CH3 + C2H2 # Reaction 837 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 0.039 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 1.0 atm, A: 1.23e+04, b: 2.68, Ea: 6335.0} - {P: 10.0 atm, A: 3.31e+08, b: 1.14, Ea: 8886.0} - {P: 100.0 atm, A: 1.28e+06, b: 1.71, Ea: 9774.0} - equation: C3H4-P + H <=> C3H5-T # Reaction 838 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 8.85e+51, b: -13.04, Ea: 1.2325e+04} - {P: 0.039 atm, A: 3.17e+52, b: -12.69, Ea: 1.4226e+04} - {P: 1.0 atm, A: 2.87e+53, b: -12.51, Ea: 1.6853e+04} - {P: 10.0 atm, A: 9.51e+51, b: -11.74, Ea: 1.8331e+04} - {P: 100.0 atm, A: 4.51e+52, b: -11.58, Ea: 2.2207e+04} - equation: C3H4-P + H <=> C3H5-T # Reaction 839 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.97e+46, b: -11.91, Ea: 7456.0} - {P: 0.039 atm, A: 2.59e+45, b: -11.23, Ea: 8046.0} - {P: 1.0 atm, A: 6.93e+39, b: -9.11, Ea: 7458.0} - {P: 10.0 atm, A: 6.8e+34, b: -7.29, Ea: 6722.0} - {P: 100.0 atm, A: 5.65e+29, b: -5.39, Ea: 6150.0} - equation: C3H4-P + H <=> C3H5-S # Reaction 840 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 0.039 atm, A: 3.38e+49, b: -12.75, Ea: 1.4072e+04} - {P: 1.0 atm, A: 1.37e+51, b: -12.55, Ea: 1.5428e+04} - {P: 10.0 atm, A: 3.88e+50, b: -11.9, Ea: 1.6915e+04} - {P: 100.0 atm, A: 2.17e+49, b: -11.1, Ea: 1.8746e+04} - equation: C3H4-P + H <=> C3H5-S # Reaction 841 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.49e+38, b: -10.11, Ea: 7458.0} - {P: 0.039 atm, A: 2.98e+43, b: -11.43, Ea: 8736.0} - {P: 1.0 atm, A: 5.75e+39, b: -9.51, Ea: 8772.0} - {P: 10.0 atm, A: 4.33e+40, b: -9.6, Ea: 9401.0} - {P: 100.0 atm, A: 3.44e+34, b: -7.36, Ea: 8558.0} - equation: C3H4-P + H <=> CH3 + C2H2 # Reaction 842 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.44e+10, b: 1.04, Ea: 3980.0} - {P: 0.039 atm, A: 3.89e+10, b: 0.989, Ea: 4114.0} - {P: 1.0 atm, A: 3.46e+12, b: 0.442, Ea: 5463.0} - {P: 10.0 atm, A: 1.72e+14, b: -0.01, Ea: 7134.0} - {P: 100.0 atm, A: 1.9e+15, b: -0.29, Ea: 8306.0} - equation: C3H4-P + H <=> C3H5-A # Reaction 843 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.1e+60, b: -14.56, Ea: 2.81e+04} - {P: 1.0 atm, A: 4.91e+60, b: -14.37, Ea: 3.1644e+04} - {P: 2.0 atm, A: 3.04e+60, b: -14.19, Ea: 3.2642e+04} - {P: 5.0 atm, A: 9.02e+59, b: -13.89, Ea: 3.3953e+04} - {P: 10.0 atm, A: 2.2e+59, b: -13.61, Ea: 3.49e+04} - {P: 100.0 atm, A: 1.6e+55, b: -12.07, Ea: 3.75e+04} - equation: C3H5-A <=> C3H5-T # Reaction 844 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 3.9e+59, b: -15.42, Ea: 7.54e+04} - {P: 1.0 atm, A: 7.06e+56, b: -14.08, Ea: 7.5868e+04} - {P: 2.0 atm, A: 4.8e+55, b: -13.59, Ea: 7.5949e+04} - {P: 5.0 atm, A: 4.86e+53, b: -12.81, Ea: 7.5883e+04} - {P: 10.0 atm, A: 6.4e+51, b: -12.12, Ea: 7.57e+04} - {P: 100.0 atm, A: 2.8e+43, b: -9.27, Ea: 7.4e+04} - equation: C3H5-A <=> C3H5-S # Reaction 845 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.3e+55, b: -14.53, Ea: 7.38e+04} - {P: 1.0 atm, A: 5.0e+51, b: -13.02, Ea: 7.33e+04} - {P: 10.0 atm, A: 9.7e+48, b: -11.73, Ea: 7.37e+04} - {P: 100.0 atm, A: 4.86e+44, b: -9.84, Ea: 7.34e+04} - equation: C2H2 + CH3 <=> C3H5-T # Reaction 846 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 6.8e+20, b: -4.16, Ea: 1.8e+04} - {P: 1.0 atm, A: 4.99e+22, b: -4.39, Ea: 1.885e+04} - {P: 2.0 atm, A: 6.0e+23, b: -4.6, Ea: 1.9571e+04} - {P: 5.0 atm, A: 7.31e+25, b: -5.06, Ea: 2.115e+04} - {P: 10.0 atm, A: 9.3e+27, b: -5.55, Ea: 2.29e+04} - {P: 100.0 atm, A: 3.8e+36, b: -7.58, Ea: 3.13e+04} - equation: C3H5-T <=> C3H5-S # Reaction 847 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.6e+44, b: -12.16, Ea: 5.22e+04} - {P: 1.0 atm, A: 1.5e+48, b: -12.71, Ea: 5.39e+04} - {P: 10.0 atm, A: 5.1e+52, b: -13.37, Ea: 5.72e+04} - {P: 100.0 atm, A: 5.8e+51, b: -12.43, Ea: 5.92e+04} - equation: C2H2 + CH3 <=> C3H5-A # Reaction 848 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 8.2e+53, b: -13.32, Ea: 3.32e+04} - {P: 1.0 atm, A: 2.68e+53, b: -12.82, Ea: 3.573e+04} - {P: 2.0 atm, A: 3.64e+52, b: -12.46, Ea: 3.6127e+04} - {P: 5.0 atm, A: 1.04e+51, b: -11.89, Ea: 3.6476e+04} - {P: 10.0 atm, A: 4.4e+49, b: -11.4, Ea: 3.67e+04} - {P: 100.0 atm, A: 3.8e+44, b: -9.63, Ea: 3.76e+04} - equation: CH3 + C2H2 <=> C3H5-S # Reaction 849 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.78e+42, b: -10.4, Ea: 1.3647e+04} - {P: 0.039 atm, A: 1.52e+44, b: -10.73, Ea: 1.5256e+04} - {P: 1.0 atm, A: 1.19e+44, b: -10.19, Ea: 1.8728e+04} - {P: 10.0 atm, A: 6.02e+43, b: -9.74, Ea: 2.0561e+04} - {P: 100.0 atm, A: 1.42e+42, b: -8.91, Ea: 2.2235e+04} - equation: CH3 + C2H2 <=> C3H5-S # Reaction 850 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 0.039 atm, A: 1.0e-10, b: 0.0, Ea: 0.0} - {P: 1.0 atm, A: 8.49e+35, b: -8.43, Ea: 1.2356e+04} - {P: 10.0 atm, A: 3.04e+32, b: -7.01, Ea: 1.2357e+04} - {P: 100.0 atm, A: 1.69e+27, b: -5.07, Ea: 1.169e+04} - equation: C3H4-P + O <=> HCCO + CH3 # Reaction 851 rate-constant: {A: 7.3e+12, b: 0.0, Ea: 2250.0} - equation: C3H4-P + O <=> C2H4 + CO # Reaction 852 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2250.0} - equation: C3H4-P + O <=> C2H3 + HCO # Reaction 853 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 2010.0} - equation: C3H4-A + O <=> C2H4 + CO # Reaction 854 rate-constant: {A: 2.0e+07, b: 1.8, Ea: 1000.0} - equation: C3H4-A + O <=> C2H2 + CH2O # Reaction 855 rate-constant: {A: 3.0e-03, b: 4.61, Ea: -4243.0} - equation: C3H4-A + OH <=> CH2CCH2OH # Reaction 856 rate-constant: {A: 1.11e+12, b: 0.0, Ea: -304.0} - equation: C3H4-A + OH <=> SC3H4OH # Reaction 857 rate-constant: {A: 2.22e+12, b: 0.0, Ea: -304.0} - equation: SC3H4OH <=> CH2CO + CH3 # Reaction 858 rate-constant: {A: 9.24e+10, b: 0.87, Ea: 3.046e+04} - equation: C3H4-P + OH <=> PC3H4OH-2 # Reaction 859 rate-constant: {A: 3.93e+11, b: 0.0, Ea: 0.0} - equation: C3H4-P + OH <=> SC3H4OH # Reaction 860 rate-constant: {A: 2.36e+12, b: 0.0, Ea: 0.0} - equation: PC3H4OH-2 <=> CH3CHCHO # Reaction 861 rate-constant: {A: 3.56e+10, b: 0.88, Ea: 2.3238e+04} - equation: CH3CHCHO <=> C2H3CHO + H # Reaction 862 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.74e+50, b: -11.73, Ea: 5.287e+04} - {P: 0.1 atm, A: 1.13e+47, b: -10.57, Ea: 5.0479e+04} - {P: 1.0 atm, A: 2.94e+43, b: -9.29, Ea: 4.881e+04} - {P: 2.5 atm, A: 1.16e+42, b: -8.78, Ea: 4.8382e+04} - {P: 5.0 atm, A: 9.48e+40, b: -8.4, Ea: 4.8095e+04} - {P: 10.0 atm, A: 7.19e+39, b: -8.01, Ea: 4.7818e+04} - {P: 25.0 atm, A: 2.13e+38, b: -7.49, Ea: 4.7438e+04} - {P: 50.0 atm, A: 1.42e+37, b: -7.09, Ea: 4.7128e+04} - equation: CH3CHCHO <=> CH3CHCO + H # Reaction 863 rate-constant: {A: 8.328e+12, b: -0.02, Ea: 3.241e+04} - equation: CH3CHCHO + H2 <=> C2H5CHO + H # Reaction 864 rate-constant: {A: 2.16e+05, b: 2.38, Ea: 1.899e+04} - equation: C3H4-P + HO2 => C2H4 + CO + OH # Reaction 865 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 1.9e+04} - equation: C3H4-A + HO2 => C2H4 + CO + OH # Reaction 866 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.4e+04} - equation: C3H4-A + HO2 => CH2CO + CH2 + OH # Reaction 867 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 1.9e+04} - equation: C3H4-A + C2H <=> C2H2 + C3H3 # Reaction 868 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + O <=> CH2O + C2H # Reaction 869 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + HO2 => OH + CO + C2H3 # Reaction 870 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 0.0} - equation: C3H3 + HCO <=> C3H4-A + CO # Reaction 871 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + HCO <=> C3H4-P + CO # Reaction 872 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + C2H <=> C3H3 + CH3 # Reaction 873 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + O2 <=> CH2CO + HCO # Reaction 874 rate-constant: {A: 1.7e+05, b: 1.7, Ea: 1500.0} - equation: C3H3 + CH <=> C4H3-N + H # Reaction 875 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + HO2 <=> C3H3O + OH # Reaction 876 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.02e+13, b: -0.158, Ea: -1417.0} - {P: 0.1 atm, A: 4.98e+14, b: -0.642, Ea: -349.1} - {P: 1.0 atm, A: 7.77e+17, b: -1.52, Ea: 2379.2} - {P: 10.0 atm, A: 2.93e+15, b: -0.684, Ea: 3615.3} - {P: 100.0 atm, A: 1.64e+04, b: 2.74, Ea: 1144.4} - equation: C3H3 + HO2 <=> C3H3O2H # Reaction 877 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.91e+31, b: -7.23, Ea: 1336.2} - {P: 0.1 atm, A: 6.31e+42, b: -10.3, Ea: 5568.9} - {P: 1.0 atm, A: 1.03e+45, b: -10.6, Ea: 7851.5} - {P: 10.0 atm, A: 2.79e+37, b: -7.92, Ea: 6497.9} - {P: 100.0 atm, A: 4.73e+25, b: -4.13, Ea: 2923.8} - equation: C3H3 + HO2 <=> C2HCHO + H2O # Reaction 878 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.09, b: 3.01, Ea: -3421.1} - {P: 0.1 atm, A: 63.5, b: 2.5, Ea: -2341.4} - {P: 1.0 atm, A: 6.05e+05, b: 1.39, Ea: 595.1} - {P: 10.0 atm, A: 3.1e+05, b: 1.59, Ea: 2677.6} - {P: 100.0 atm, A: 5.07e-05, b: 4.59, Ea: 927.5} - equation: C3H3O2H <=> C2HCHO + H2O # Reaction 879 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.99e+50, b: -12.7, Ea: 5.35319e+04} - {P: 0.1 atm, A: 4.72e+47, b: -11.5, Ea: 5.43609e+04} - {P: 1.0 atm, A: 1.5e+40, b: -8.84, Ea: 5.31792e+04} - {P: 10.0 atm, A: 2.54e+28, b: -5.0, Ea: 4.99194e+04} - {P: 100.0 atm, A: 1.48e+16, b: -1.12, Ea: 4.59493e+04} - equation: C2H + CH2O <=> C3H3O # Reaction 880 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.925e-04, b: 2.609, Ea: -4297.3} - {P: 0.01 atm, A: 5.688e+06, b: -0.073, Ea: -1234.1} - {P: 0.1 atm, A: 5.39e+13, b: -1.803, Ea: 1452.2} - {P: 1.0 atm, A: 8.733e+15, b: -2.074, Ea: 2510.1} - {P: 10.0 atm, A: 5.305e+19, b: -2.943, Ea: 4532.2} - {P: 100.0 atm, A: 3.779e+21, b: -3.163, Ea: 6802.5} - equation: C2HCHO <=> C2H2 + CO # Reaction 881 rate-constant: {A: 2.51e+14, b: 0.0, Ea: 6.8e+04} - equation: C2H + HCO <=> C2HCHO # Reaction 882 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + H <=> C3H2 + H2 # Reaction 883 rate-constant: {A: 2.14e+05, b: 2.52, Ea: 7453.0} - equation: C3H3 + H <=> C3H2(S) + H2 # Reaction 884 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0395 atm, A: 2.951e+09, b: 1.28, Ea: 1.3474e+04} - {P: 1.0 atm, A: 1.097e+10, b: 1.13, Ea: 1.3929e+04} - {P: 10.0 atm, A: 3.311e+13, b: 0.195, Ea: 1.7579e+04} - equation: C3H3 + H <=> H2CCC(S) + H2 # Reaction 885 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0395 atm, A: 2.692e+09, b: 1.05, Ea: 5371.0} - {P: 1.0 atm, A: 2.884e+13, b: -0.03, Ea: 9448.0} - {P: 10.0 atm, A: 1.0e+18, b: -1.23, Ea: 1.5111e+04} - equation: C3H3 + H <=> C3H2C + H2 # Reaction 886 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0395 atm, A: 1.072e+07, b: 1.37, Ea: 1.5557e+04} - {P: 1.0 atm, A: 1.349e+07, b: 1.34, Ea: 1.556e+04} - {P: 10.0 atm, A: 7.244e+09, b: 0.606, Ea: 1.8356e+04} - equation: C3H2C + O2 <=> C2H2 + CO2 # Reaction 887 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + OH <=> C3H2 + H2O # Reaction 888 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 8000.0} - equation: C3H3 + OH <=> CH2O + C2H2 # Reaction 889 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C3H3 + OH <=> C2H3 + HCO # Reaction 890 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + OH <=> C2H4 + CO # Reaction 891 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + OH <=> C3H2(S) + H2O # Reaction 892 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C3H3 + OH <=> H2CCC(S) + H2O # Reaction 893 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C3H2(S) + M <=> C3H2 + M # Reaction 894 type: three-body rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H2(S) + H <=> H2CCC(S) + H # Reaction 895 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: H2CCC(S) + O2 <=> CO2 + C2H2 # Reaction 896 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C3H3 + C3H3 <=> C6H5 + H # Reaction 897 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.03947 atm, A: 1.0467e+54, b: -11.88, Ea: 2.8757e+04} - {P: 1.0 atm, A: 1.6975e+48, b: -9.977, Ea: 3.6755e+04} - {P: 10.0 atm, A: 3.6712e+26, b: -3.879, Ea: 2.8963e+04} - equation: C3H3 + C3H3 <=> C6H6 # Reaction 898 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.03947 atm, A: 1.64e+66, b: -15.902, Ea: 2.7529e+04} - {P: 1.0 atm, A: 3.1609e+55, b: -12.55, Ea: 2.2264e+04} - {P: 10.0 atm, A: 3.8888e+50, b: -11.01, Ea: 2.032e+04} - equation: C3H3 + C3H3 <=> FULVENE # Reaction 899 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.03947 atm, A: 7.25e+65, b: -16.015, Ea: 2.5035e+04} - {P: 1.0 atm, A: 1.3798e+66, b: -15.66, Ea: 2.826e+04} - {P: 10.0 atm, A: 1.2584e+56, b: -12.61, Ea: 2.3515e+04} - equation: C3H3 + C3H5-A => FULVENE + H + H # Reaction 900 rate-constant: {A: 3.26e+29, b: -5.397, Ea: 3390.0} - equation: C3H3 + C3H4-A <=> C6H6 + H # Reaction 901 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 9990.4} - equation: CH3CHCO + OH <=> C2H5 + CO2 # Reaction 902 rate-constant: {A: 1.73e+12, b: 0.0, Ea: -1010.0} - equation: CH3CHCO + OH <=> SC2H4OH + CO # Reaction 903 rate-constant: {A: 2.0e+12, b: 0.0, Ea: -1010.0} - equation: CH3CHCO + H <=> C2H5 + CO # Reaction 904 rate-constant: {A: 4.4e+12, b: 0.0, Ea: 1459.0} - equation: CH3CHCO + O <=> CH3CHO + CO # Reaction 905 rate-constant: {A: 3.2e+12, b: 0.0, Ea: -437.0} - equation: CH3COCH3 <=> CH3CO + CH3 # Reaction 906 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.05e+58, b: -12.796, Ea: 1.000301e+05} - {P: 0.1 atm, A: 3.3e+51, b: -10.574, Ea: 9.82212e+04} - {P: 1.0 atm, A: 1.31e+42, b: -7.657, Ea: 9.46606e+04} - {P: 10.0 atm, A: 2.16e+33, b: -4.989, Ea: 9.09165e+04} - {P: 100.0 atm, A: 9.4e+28, b: -3.669, Ea: 8.90228e+04} - equation: CH3COCH2 + H <=> CH3COCH3 # Reaction 907 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: CH3COCH3 + OH <=> CH3COCH2 + H2O # Reaction 908 rate-constant: {A: 1.25e+05, b: 2.483, Ea: 445.0} - equation: CH3COCH3 + H <=> CH3COCH2 + H2 # Reaction 909 rate-constant: {A: 9.8e+05, b: 2.43, Ea: 5160.0} - equation: CH3COCH3 + O <=> CH3COCH2 + OH # Reaction 910 rate-constant: {A: 5.13e+11, b: 0.211, Ea: 4890.0} - equation: CH3COCH3 + CH3 <=> CH3COCH2 + CH4 # Reaction 911 rate-constant: {A: 3.96e+11, b: 0.0, Ea: 9784.0} - equation: CH3COCH3 + CH3O <=> CH3COCH2 + CH3OH # Reaction 912 rate-constant: {A: 4.34e+11, b: 0.0, Ea: 6460.0} - equation: CH3COCH3 + O2 <=> CH3COCH2 + HO2 # Reaction 913 rate-constant: {A: 6.03e+13, b: 0.0, Ea: 4.85e+04} - equation: CH3COCH3 + HO2 <=> CH3COCH2 + H2O2 # Reaction 914 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: CH3COCH3 + CH3O2 <=> CH3COCH2 + CH3O2H # Reaction 915 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: CH3COCH3 + CH3COCH2O2 <=> CH3COCH2 + C3KET21 # Reaction 916 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 5000.0} - equation: CH3COCH2 + HO2 <=> CH3COCH2O + OH # Reaction 917 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} - equation: CH3COCH2 + CH3O2 <=> CH3COCH2O + CH3O # Reaction 918 rate-constant: {A: 1.205e+13, b: 0.0, Ea: 0.0} - equation: CH3COCH2O <=> CH3CO + CH2O # Reaction 919 rate-constant: {A: 5.872e+20, b: -2.4218, Ea: 1.05358e+04} - equation: CH3COCH2 + O2 <=> CH3COCH2O2 # Reaction 920 rate-constant: {A: 1.2e+11, b: 0.0, Ea: -1100.0} - equation: CH2CO + CH3 <=> CH3COCH2 # Reaction 921 rate-constant: {A: 1.76e+04, b: 2.48, Ea: 6130.0} - equation: CH2O + CH3COCH2O2 <=> HCO + C3KET21 # Reaction 922 rate-constant: {A: 1.288e+11, b: 0.0, Ea: 9000.0} - equation: HO2 + CH3COCH2O2 <=> C3KET21 + O2 # Reaction 923 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C2H3 + HCO <=> C2H3CHO # Reaction 924 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: C2H3CHO + H <=> C2H3CO + H2 # Reaction 925 rate-constant: {A: 1.34e+13, b: 0.0, Ea: 3300.0} - equation: C2H3CHO + O <=> C2H3CO + OH # Reaction 926 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: C2H3CHO + OH <=> C2H3CO + H2O # Reaction 927 rate-constant: {A: 9.24e+06, b: 1.5, Ea: -962.0} - equation: C2H3CHO + O2 <=> C2H3CO + HO2 # Reaction 928 rate-constant: {A: 1.005e+13, b: 0.0, Ea: 4.07e+04} - equation: C2H3CHO + HO2 <=> C2H3CO + H2O2 # Reaction 929 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: C2H3CHO + CH3 <=> C2H3CO + CH4 # Reaction 930 rate-constant: {A: 2.608e+06, b: 1.78, Ea: 5911.0} - equation: C2H3CHO + C2H3 <=> C2H3CO + C2H4 # Reaction 931 rate-constant: {A: 1.74e+12, b: 0.0, Ea: 8440.0} - equation: C2H3CHO + CH3O <=> C2H3CO + CH3OH # Reaction 932 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 3300.0} - equation: C2H3CHO + CH3O2 <=> C2H3CO + CH3O2H # Reaction 933 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: C2H3 + CO <=> C2H3CO # Reaction 934 rate-constant: {A: 1.51e+11, b: 0.0, Ea: 4810.0} - equation: C2H5 + HCO <=> C2H5CHO # Reaction 935 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: C2H5CHO + H <=> C2H5CO + H2 # Reaction 936 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4200.0} - equation: C2H5CHO + O <=> C2H5CO + OH # Reaction 937 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1790.0} - equation: C2H5CHO + OH <=> C2H5CO + H2O # Reaction 938 rate-constant: {A: 2.69e+10, b: 0.76, Ea: -340.0} - equation: C2H5CHO + CH3 <=> C2H5CO + CH4 # Reaction 939 rate-constant: {A: 2.608e+06, b: 1.78, Ea: 5911.0} - equation: C2H5CHO + HO2 <=> C2H5CO + H2O2 # Reaction 940 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: C2H5CHO + CH3O <=> C2H5CO + CH3OH # Reaction 941 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 3300.0} - equation: C2H5CHO + CH3O2 <=> C2H5CO + CH3O2H # Reaction 942 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: C2H5CHO + C2H5 <=> C2H5CO + C2H6 # Reaction 943 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 8000.0} - equation: C2H5CHO + C2H5O <=> C2H5CO + C2H5OH # Reaction 944 rate-constant: {A: 6.026e+11, b: 0.0, Ea: 3300.0} - equation: C2H5CHO + C2H5O2 <=> C2H5CO + C2H5O2H # Reaction 945 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: C2H5CHO + O2 <=> C2H5CO + HO2 # Reaction 946 rate-constant: {A: 1.005e+13, b: 0.0, Ea: 4.07e+04} - equation: C2H5CHO + CH3CO3 <=> C2H5CO + CH3CO3H # Reaction 947 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: C2H5CHO + C2H3 <=> C2H5CO + C2H4 # Reaction 948 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 8440.0} - equation: C2H5CHO + NC3H7 <=> C2H5CO + C3H8 # Reaction 949 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 8440.0} - equation: C2H5CHO + IC3H7 <=> C2H5CO + C3H8 # Reaction 950 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 8440.0} - equation: C2H5CHO + C3H5-A <=> C2H5CO + C3H6 # Reaction 951 rate-constant: {A: 1.7e+12, b: 0.0, Ea: 8440.0} - equation: C2H5 + CO <=> C2H5CO # Reaction 952 rate-constant: {A: 1.51e+11, b: 0.0, Ea: 4810.0} - equation: C4H10 (+ M) <=> C2H5 + C2H5 (+ M) # Reaction 953 type: falloff low-P-rate-constant: {A: 4.72e+18, b: 0.0, Ea: 4.9578e+04} high-P-rate-constant: {A: 1.355e+37, b: -6.036, Ea: 9.2929e+04} Troe: {A: 0.07998, T3: 1.0e-20, T1: 3.243e+04, T2: 4858.0} - equation: C4H10 (+ M) <=> NC3H7 + CH3 (+ M) # Reaction 954 type: falloff low-P-rate-constant: {A: 5.34e+17, b: 0.0, Ea: 4.2959e+04} high-P-rate-constant: {A: 6.6e+52, b: -10.626, Ea: 1.0033e+05} Troe: {A: 0.09502, T3: 1.0e-20, T1: 5348.0, T2: 4326.0} - equation: C4H10 <=> PC4H9 + H # Reaction 955 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.45e+90, b: -21.91, Ea: 1.40564e+05} - {P: 0.1 atm, A: 4.63e+76, b: -17.64, Ea: 1.34669e+05} - {P: 1.0 atm, A: 4.94e+58, b: -12.32, Ea: 1.25435e+05} - {P: 10.0 atm, A: 4.8e+40, b: -7.06, Ea: 1.15302e+05} - {P: 100.0 atm, A: 1.49e+27, b: -3.15, Ea: 1.07323e+05} - equation: C4H10 <=> SC4H9 + H # Reaction 956 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.1e+88, b: -21.24, Ea: 1.36355e+05} - {P: 0.1 atm, A: 4.34e+73, b: -16.76, Ea: 1.2959e+05} - {P: 1.0 atm, A: 7.39e+55, b: -11.52, Ea: 1.20199e+05} - {P: 10.0 atm, A: 8.52e+38, b: -6.58, Ea: 1.10556e+05} - {P: 100.0 atm, A: 5.4e+26, b: -3.05, Ea: 1.03313e+05} - equation: C4H10 + H <=> PC4H9 + H2 # Reaction 957 rate-constant: {A: 3.49e+05, b: 2.69, Ea: 6450.0} - equation: C4H10 + O2 <=> PC4H9 + HO2 # Reaction 958 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 5.234e+04} - equation: C4H10 + O <=> PC4H9 + OH # Reaction 959 rate-constant: {A: 1.13e+14, b: 0.0, Ea: 7850.0} - equation: C4H10 + OH <=> PC4H9 + H2O # Reaction 960 rate-constant: {A: 1.054e+10, b: 0.97, Ea: 1586.0} - equation: C4H10 + HO2 <=> PC4H9 + H2O2 # Reaction 961 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: C4H10 + CH3 <=> PC4H9 + CH4 # Reaction 962 rate-constant: {A: 0.904, b: 3.65, Ea: 7154.0} - equation: C4H10 + CH3O <=> PC4H9 + CH3OH # Reaction 963 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: C4H10 + CH3O2 <=> PC4H9 + CH3O2H # Reaction 964 rate-constant: {A: 1.386, b: 3.97, Ea: 1.828e+04} - equation: C4H10 + O2CHO <=> PC4H9 + HO2CHO # Reaction 965 rate-constant: {A: 1.68e+13, b: 0.0, Ea: 2.044e+04} - equation: C4H10 + C2H5 <=> PC4H9 + C2H6 # Reaction 966 rate-constant: {A: 1.58e+11, b: 0.0, Ea: 1.23e+04} - equation: C4H10 + C2H3 <=> PC4H9 + C2H4 # Reaction 967 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.8e+04} - equation: C4H10 + C2H5O <=> PC4H9 + C2H5OH # Reaction 968 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: C4H10 + C2H5O2 <=> PC4H9 + C2H5O2H # Reaction 969 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: C4H10 + CH3CO3 <=> PC4H9 + CH3CO3H # Reaction 970 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + C3H5-A <=> PC4H9 + C3H6 # Reaction 971 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 2.05e+04} - equation: C4H10 + NC3H7O2 <=> PC4H9 + NC3H7O2H # Reaction 972 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + IC3H7O2 <=> PC4H9 + IC3H7O2H # Reaction 973 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + PC4H9 <=> SC4H9 + C4H10 # Reaction 974 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C4H10 + PC4H9O2 <=> PC4H9 + PC4H9O2H # Reaction 975 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + SC4H9O2 <=> PC4H9 + SC4H9O2H # Reaction 976 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + IC4H9O2 <=> PC4H9 + IC4H9O2H # Reaction 977 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + TC4H9O2 <=> PC4H9 + TC4H9O2H # Reaction 978 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H10 + H <=> SC4H9 + H2 # Reaction 979 rate-constant: {A: 2.6e+06, b: 2.4, Ea: 4471.0} - equation: C4H10 + O2 <=> SC4H9 + HO2 # Reaction 980 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 4.98e+04} - equation: C4H10 + O <=> SC4H9 + OH # Reaction 981 rate-constant: {A: 5.62e+13, b: 0.0, Ea: 5200.0} - equation: C4H10 + OH <=> SC4H9 + H2O # Reaction 982 rate-constant: {A: 9.34e+07, b: 1.61, Ea: -35.0} - equation: C4H10 + HO2 <=> SC4H9 + H2O2 # Reaction 983 rate-constant: {A: 126.4, b: 3.37, Ea: 1.372e+04} - equation: C4H10 + CH3 <=> SC4H9 + CH4 # Reaction 984 rate-constant: {A: 3.02, b: 3.46, Ea: 5481.0} - equation: C4H10 + CH3O <=> SC4H9 + CH3OH # Reaction 985 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 7000.0} - equation: C4H10 + CH3O2 <=> SC4H9 + CH3O2H # Reaction 986 rate-constant: {A: 20.37, b: 3.58, Ea: 1.481e+04} - equation: C4H10 + O2CHO <=> SC4H9 + HO2CHO # Reaction 987 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.769e+04} - equation: C4H10 + C2H5 <=> SC4H9 + C2H6 # Reaction 988 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C4H10 + C2H3 <=> SC4H9 + C2H4 # Reaction 989 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.68e+04} - equation: C4H10 + C2H5O <=> SC4H9 + C2H5OH # Reaction 990 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 7000.0} - equation: C4H10 + C2H5O2 <=> SC4H9 + C2H5O2H # Reaction 991 rate-constant: {A: 126.4, b: 3.37, Ea: 1.372e+04} - equation: C4H10 + CH3CO3 <=> SC4H9 + CH3CO3H # Reaction 992 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: C4H10 + C3H5-A <=> SC4H9 + C3H6 # Reaction 993 rate-constant: {A: 3.16e+11, b: 0.0, Ea: 1.64e+04} - equation: C4H10 + NC3H7O2 <=> SC4H9 + NC3H7O2H # Reaction 994 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: C4H10 + IC3H7O2 <=> SC4H9 + IC3H7O2H # Reaction 995 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: C4H10 + PC4H9O2 <=> SC4H9 + PC4H9O2H # Reaction 996 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: C4H10 + SC4H9O2 <=> SC4H9 + SC4H9O2H # Reaction 997 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: C4H10 + IC4H9O2 <=> SC4H9 + IC4H9O2H # Reaction 998 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: C4H10 + TC4H9O2 <=> SC4H9 + TC4H9O2H # Reaction 999 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 1.77e+04} - equation: PC4H9 + HO2 <=> PC4H9O + OH # Reaction 1000 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CH3O2 + PC4H9 <=> CH3O + PC4H9O # Reaction 1001 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9 + HO2 <=> SC4H9O + OH # Reaction 1002 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9 + CH3O2 <=> CH3O + SC4H9O # Reaction 1003 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C2H5 + CH3CHO <=> SC4H9O # Reaction 1004 rate-constant: {A: 3.33e+10, b: 0.0, Ea: 6397.0} - equation: PC4H9 + O2 <=> C4H8-1 + HO2 # Reaction 1005 rate-constant: {A: 0.837, b: 3.59, Ea: 1.196e+04} - equation: PC4H9 + O2 <=> PC4H9O2 # Reaction 1006 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: SC4H9 + O2 <=> C4H8-1 + HO2 # Reaction 1007 rate-constant: {A: 0.535, b: 3.71, Ea: 9322.0} - equation: SC4H9 + O2 <=> C4H8-2 + HO2 # Reaction 1008 rate-constant: {A: 1.07, b: 3.71, Ea: 9322.0} - equation: SC4H9 + O2 <=> SC4H9O2 # Reaction 1009 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: PC4H9O2 + H2 <=> PC4H9O2H + H # Reaction 1010 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: PC4H9O2 + HO2 <=> PC4H9O2H + O2 # Reaction 1011 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: PC4H9O2 + H2O2 <=> PC4H9O2H + HO2 # Reaction 1012 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: PC4H9O2 + CH4 <=> PC4H9O2H + CH3 # Reaction 1013 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 2.464e+04} - equation: PC4H9O2 + CH3OH <=> PC4H9O2H + CH2OH # Reaction 1014 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: PC4H9O2 + CH2O <=> PC4H9O2H + HCO # Reaction 1015 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.36e+04} - equation: PC4H9O2 + C2H6 <=> PC4H9O2H + C2H5 # Reaction 1016 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: PC4H9O2 + CH3CHO <=> PC4H9O2H + CH3CO # Reaction 1017 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: PC4H9O2 + C2H4 <=> PC4H9O2H + C2H3 # Reaction 1018 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: PC4H9O2 + C3H6 <=> PC4H9O2H + C3H5-A # Reaction 1019 rate-constant: {A: 0.0535, b: 4.207, Ea: 1.32881e+04} - equation: PC4H9O2 + C2H5CHO <=> PC4H9O2H + C2H5CO # Reaction 1020 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9500.0} - equation: PC4H9O2 + C2H3CHO <=> PC4H9O2H + C2H3CO # Reaction 1021 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: PC4H9O2 + C3H8 <=> PC4H9O2H + NC3H7 # Reaction 1022 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: PC4H9O2 + C3H8 <=> PC4H9O2H + IC3H7 # Reaction 1023 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: PC4H9O2 + CH3 <=> PC4H9O + CH3O # Reaction 1024 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + C2H5 <=> PC4H9O + C2H5O # Reaction 1025 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + IC3H7 <=> PC4H9O + IC3H7O # Reaction 1026 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + NC3H7 <=> PC4H9O + NC3H7O # Reaction 1027 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + C3H5-A <=> PC4H9O + C3H5O # Reaction 1028 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + PC4H9 <=> PC4H9O + PC4H9O # Reaction 1029 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + SC4H9 <=> PC4H9O + SC4H9O # Reaction 1030 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2 + C4H71-3 <=> PC4H9O + C4H71-O # Reaction 1031 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: PC4H9O2H <=> PC4H9O + OH # Reaction 1032 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.25e+04} - equation: PC4H9O2 + CH3O2 => PC4H9O + CH3O + O2 # Reaction 1033 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 + CH3CO3 => PC4H9O + CH3CO2 + O2 # Reaction 1034 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 + C2H5O2 => PC4H9O + C2H5O + O2 # Reaction 1035 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 + NC3H7O2 => PC4H9O + NC3H7O + O2 # Reaction 1036 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 + IC3H7O2 => PC4H9O + IC3H7O + O2 # Reaction 1037 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 + PC4H9O2 => PC4H9O + PC4H9O + O2 # Reaction 1038 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 + SC4H9O2 => PC4H9O + SC4H9O + O2 # Reaction 1039 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: PC4H9O2 <=> C4H8OOH1-2 # Reaction 1040 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: PC4H9O2 <=> C4H8OOH1-3 # Reaction 1041 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: PC4H9O2 <=> C4H8OOH1-4 # Reaction 1042 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: PC4H9O2 <=> C4H8-1 + HO2 # Reaction 1043 rate-constant: {A: 1.258e+08, b: 1.38, Ea: 2.89e+04} - equation: IC3H7O2 + PC4H9 <=> IC3H7O + PC4H9O # Reaction 1044 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + PC4H9 <=> NC3H7O + PC4H9O # Reaction 1045 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + PC4H9 <=> SC4H9O + PC4H9O # Reaction 1046 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H7O2 + SC4H9 <=> IC3H7O + SC4H9O # Reaction 1047 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: NC3H7O2 + SC4H9 <=> NC3H7O + SC4H9O # Reaction 1048 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + H2 <=> SC4H9O2H + H # Reaction 1049 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: SC4H9O2 + HO2 <=> SC4H9O2H + O2 # Reaction 1050 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: SC4H9O2 + CH2O <=> SC4H9O2H + HCO # Reaction 1051 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.36e+04} - equation: SC4H9O2 + CH3CHO <=> SC4H9O2H + CH3CO # Reaction 1052 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: SC4H9O2 + C2H6 <=> SC4H9O2H + C2H5 # Reaction 1053 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: SC4H9O2 + C2H5CHO <=> SC4H9O2H + C2H5CO # Reaction 1054 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9500.0} - equation: SC4H9O2 + C3H6 <=> SC4H9O2H + C3H5-A # Reaction 1055 rate-constant: {A: 0.0535, b: 4.207, Ea: 1.32881e+04} - equation: SC4H9O2 + C2H4 <=> SC4H9O2H + C2H3 # Reaction 1056 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: SC4H9O2 + CH3OH <=> SC4H9O2H + CH2OH # Reaction 1057 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: SC4H9O2 + C2H3CHO <=> SC4H9O2H + C2H3CO # Reaction 1058 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: SC4H9O2 + CH4 <=> SC4H9O2H + CH3 # Reaction 1059 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 2.464e+04} - equation: SC4H9O2 + H2O2 <=> SC4H9O2H + HO2 # Reaction 1060 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: SC4H9O2 + C3H8 <=> SC4H9O2H + NC3H7 # Reaction 1061 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: SC4H9O2 + C3H8 <=> SC4H9O2H + IC3H7 # Reaction 1062 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: SC4H9O2 + CH3O2 => SC4H9O + CH3O + O2 # Reaction 1063 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: SC4H9O2 + CH3CO3 => SC4H9O + CH3CO2 + O2 # Reaction 1064 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: SC4H9O2 + NC3H7O2 => SC4H9O + NC3H7O + O2 # Reaction 1065 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: SC4H9O2 + IC3H7O2 => SC4H9O + IC3H7O + O2 # Reaction 1066 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: SC4H9O2 + SC4H9O2 => SC4H9O + SC4H9O + O2 # Reaction 1067 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: SC4H9O2 + C2H5O2 => SC4H9O + C2H5O + O2 # Reaction 1068 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: SC4H9O2 + CH3 <=> SC4H9O + CH3O # Reaction 1069 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + C2H5 <=> SC4H9O + C2H5O # Reaction 1070 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + IC3H7 <=> SC4H9O + IC3H7O # Reaction 1071 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + NC3H7 <=> SC4H9O + NC3H7O # Reaction 1072 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + SC4H9 <=> SC4H9O + SC4H9O # Reaction 1073 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + C3H5-A <=> SC4H9O + C3H5O # Reaction 1074 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O2 + C4H71-3 <=> SC4H9O + C4H71-O # Reaction 1075 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: SC4H9O + OH <=> SC4H9O2H # Reaction 1076 rate-constant: {A: 1.0e+15, b: -0.8, Ea: 0.0} - equation: SC4H9O2 <=> C4H8OOH2-1 # Reaction 1077 rate-constant: {A: 1.458e+09, b: 1.1, Ea: 3.35e+04} - equation: SC4H9O2 <=> C4H8OOH2-3 # Reaction 1078 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: SC4H9O2 <=> C4H8OOH2-4 # Reaction 1079 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: SC4H9O2 <=> C4H8-1 + HO2 # Reaction 1080 rate-constant: {A: 5.13e+09, b: 1.0, Ea: 3.04e+04} - equation: C4H8OOH1-2 <=> C4H8O1-2 + OH # Reaction 1081 rate-constant: {A: 1.71e+09, b: 1.06, Ea: 1.09e+04} - equation: C4H8OOH1-3 <=> C4H8O1-3 + OH # Reaction 1082 rate-constant: {A: 2.59e+09, b: 0.69, Ea: 1.6e+04} - equation: C4H8OOH1-4 <=> C4H8O1-4 + OH # Reaction 1083 rate-constant: {A: 1.72e+08, b: 0.76, Ea: 1.11e+04} - equation: C4H8OOH2-4 <=> C4H8O1-3 + OH # Reaction 1084 rate-constant: {A: 2.44e+09, b: 0.78, Ea: 1.8e+04} - equation: C4H8O1-2 + H => CH2O + C3H5-A + H2 # Reaction 1085 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-2 + O => CH2O + C3H5-A + OH # Reaction 1086 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-2 + OH => CH2O + C3H5-A + H2O # Reaction 1087 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-2 + HO2 => CH2O + C3H5-A + H2O2 # Reaction 1088 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C4H8O1-2 + CH3 => CH2O + C3H5-A + CH4 # Reaction 1089 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C4H8O1-2 + CH3O2 => CH2O + C3H5-A + CH3O2H # Reaction 1090 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C4H8O1-3 + H => CH2O + C3H5-A + H2 # Reaction 1091 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-3 + O => CH2O + C3H5-A + OH # Reaction 1092 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-3 + OH => CH2O + C3H5-A + H2O # Reaction 1093 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-3 + HO2 => CH2O + C3H5-A + H2O2 # Reaction 1094 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C4H8O1-3 + CH3 => CH2O + C3H5-A + CH4 # Reaction 1095 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C4H8O1-3 + CH3O2 => CH2O + C3H5-A + CH3O2H # Reaction 1096 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C4H8O1-4 + H => CH2O + C3H5-A + H2 # Reaction 1097 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-4 + O => CH2O + C3H5-A + OH # Reaction 1098 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-4 + OH => CH2O + C3H5-A + H2O # Reaction 1099 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O1-4 + HO2 => CH2O + C3H5-A + H2O2 # Reaction 1100 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C4H8O1-4 + CH3 => CH2O + C3H5-A + CH4 # Reaction 1101 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C4H8O1-4 + CH3O2 => CH2O + C3H5-A + CH3O2H # Reaction 1102 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C4H8O2-3 + H => CH2O + C3H5-A + H2 # Reaction 1103 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O2-3 + OH => CH2O + C3H5-A + H2O # Reaction 1104 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O2-3 + O => CH2O + C3H5-A + OH # Reaction 1105 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H8O2-3 + HO2 => CH2O + C3H5-A + H2O2 # Reaction 1106 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C4H8O2-3 + CH3O2 => CH2O + C3H5-A + CH3O2H # Reaction 1107 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C4H8O2-3 + CH3 => CH2O + C3H5-A + CH4 # Reaction 1108 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CH2CHO + C2H4 <=> C4H7O12-4 # Reaction 1109 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C2H4 + CH2CHO <=> C4H7O13-4 # Reaction 1110 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH3 + C2H3CHO <=> C4H7O23-1 # Reaction 1111 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C4H8OOH1-3 => OH + CH2O + C3H6 # Reaction 1112 rate-constant: {A: 1.23e+09, b: 1.3, Ea: 2.49e+04} - equation: C4H8OOH2-4 => OH + CH3CHO + C2H4 # Reaction 1113 rate-constant: {A: 3.08e+08, b: 1.5, Ea: 2.35e+04} - equation: C4H8OOH1-2 + O2 <=> C4H8OOH1-2O2 # Reaction 1114 rate-constant: {A: 1.744e+14, b: -0.816, Ea: -536.5} - equation: C4H8OOH1-3 + O2 <=> C4H8OOH1-3O2 # Reaction 1115 rate-constant: {A: 1.744e+14, b: -0.816, Ea: -536.5} - equation: C4H8OOH1-4 + O2 <=> C4H8OOH1-4O2 # Reaction 1116 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: C4H8OOH2-1 + O2 <=> C4H8OOH2-1O2 # Reaction 1117 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: C4H8OOH2-3 + O2 <=> C4H8OOH2-3O2 # Reaction 1118 rate-constant: {A: 1.744e+14, b: -0.816, Ea: -536.5} - equation: C4H8OOH2-4 + O2 <=> C4H8OOH2-4O2 # Reaction 1119 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: C4H8OOH1-2O2 <=> C4H72-1OOH + HO2 # Reaction 1120 rate-constant: {A: 2.54e+10, b: 0.804, Ea: 3.00985e+04} - equation: C4H8OOH1-3O2 <=> C4H71-4OOH + HO2 # Reaction 1121 rate-constant: {A: 5.13e+09, b: 1.0, Ea: 3.04e+04} - equation: C4H8OOH1-3O2 <=> C4H72-1OOH + HO2 # Reaction 1122 rate-constant: {A: 2.54e+10, b: 0.804, Ea: 3.00985e+04} - equation: C4H8OOH1-4O2 <=> C4H71-4OOH + HO2 # Reaction 1123 rate-constant: {A: 1.44e+07, b: 1.38, Ea: 2.89e+04} - equation: C4H8OOH2-3O2 <=> C4H71-3OOH + HO2 # Reaction 1124 rate-constant: {A: 5.13e+09, b: 1.0, Ea: 3.04e+04} - equation: C4H8OOH2-4O2 <=> C4H71-3OOH + HO2 # Reaction 1125 rate-constant: {A: 1.44e+07, b: 1.38, Ea: 2.89e+04} - equation: C4H8OOH1-2O2 <=> C4H71-3,4OOH # Reaction 1126 rate-constant: {A: 1.44e+07, b: 1.4, Ea: 2.08e+04} - equation: C4H8OOH1-2O2 <=> C4H72-3,4OOH # Reaction 1127 rate-constant: {A: 1.72e+09, b: 0.9, Ea: 2.95e+04} - equation: C4H8OOH1-2O2 <=> NC4KET12 + OH # Reaction 1128 rate-constant: {A: 2.44e+07, b: 1.6, Ea: 2.79e+04} - equation: C4H8OOH1-3O2 <=> C4H71-2,4OOH # Reaction 1129 rate-constant: {A: 1.46e+09, b: 1.1, Ea: 3.35e+04} - equation: C4H8OOH1-3O2 <=> C4H72-1,3OOH # Reaction 1130 rate-constant: {A: 1.72e+09, b: 0.9, Ea: 2.95e+04} - equation: C4H8OOH1-3O2 <=> NC4KET13 + OH # Reaction 1131 rate-constant: {A: 1.09e+04, b: 2.4, Ea: 1.99e+04} - equation: C4H8OOH1-4O2 <=> C4H72-1,4OOH # Reaction 1132 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} duplicate: true - equation: C4H8OOH1-4O2 <=> C4H72-1,4OOH # Reaction 1133 rate-constant: {A: 4.01e+08, b: 1.1, Ea: 3.01e+04} duplicate: true - equation: C4H8OOH1-4O2 <=> NC4KET14 + OH # Reaction 1134 rate-constant: {A: 4800.0, b: 1.7, Ea: 1.66e+04} - equation: C4H8OOH2-1O2 <=> C4H72-3,4OOH # Reaction 1135 rate-constant: {A: 1.72e+09, b: 0.9, Ea: 2.95e+04} - equation: C4H8OOH2-1O2 <=> C4H71-3,4OOH # Reaction 1136 rate-constant: {A: 1.23e+06, b: 1.5, Ea: 2.0e+04} - equation: C4H8OOH2-1O2 <=> NC4KET21 + OH # Reaction 1137 rate-constant: {A: 2.76e+08, b: 1.2, Ea: 2.57e+04} - equation: C4H8OOH2-3O2 <=> C4H71-2,3OOH # Reaction 1138 rate-constant: {A: 1.46e+09, b: 1.1, Ea: 3.35e+04} duplicate: true - equation: C4H8OOH2-3O2 <=> C4H71-2,3OOH # Reaction 1139 rate-constant: {A: 1.44e+07, b: 1.4, Ea: 2.08e+04} duplicate: true - equation: C4H8OOH2-3O2 <=> NC4KET23 + OH # Reaction 1140 rate-constant: {A: 1.75e+06, b: 1.7, Ea: 2.6e+04} - equation: C4H8OOH2-4O2 <=> C4H71-2,4OOH # Reaction 1141 rate-constant: {A: 1.23e+06, b: 1.5, Ea: 2.0e+04} - equation: C4H8OOH2-4O2 <=> C4H72-1,3OOH # Reaction 1142 rate-constant: {A: 4.01e+08, b: 1.1, Ea: 3.01e+04} - equation: C4H8OOH2-4O2 <=> NC4KET24 + OH # Reaction 1143 rate-constant: {A: 57.9, b: 2.9, Ea: 1.7e+04} - equation: C4H71-3,4OOH <=> C4H7O1-3OOH-4 + OH # Reaction 1144 rate-constant: {A: 2.44e+09, b: 0.78, Ea: 1.8e+04} - equation: C4H71-3,4OOH <=> C4H7O1-4OOH-2 + OH # Reaction 1145 rate-constant: {A: 1.72e+09, b: 0.76, Ea: 1.11e+04} - equation: C4H72-3,4OOH <=> C4H7O2-3OOH-1 + OH # Reaction 1146 rate-constant: {A: 6.99e+09, b: 0.815, Ea: 9788.3} - equation: C4H72-3,4OOH <=> C4H7O1-3OOH-2 + OH # Reaction 1147 rate-constant: {A: 2.59e+09, b: 0.69, Ea: 1.6e+04} - equation: C4H71-2,4OOH <=> C4H7O1-2OOH-4 + OH # Reaction 1148 rate-constant: {A: 2.35e+10, b: 0.68, Ea: 1.08e+04} - equation: C4H71-2,4OOH <=> C4H7O1-4OOH-2 + OH # Reaction 1149 rate-constant: {A: 1.72e+09, b: 0.76, Ea: 1.11e+04} - equation: C4H72-1,3OOH <=> C4H7O1-2OOH-3 + OH # Reaction 1150 rate-constant: {A: 1.71e+09, b: 1.06, Ea: 1.09e+04} - equation: C4H72-1,3OOH <=> C4H7O2-3OOH-1 + OH # Reaction 1151 rate-constant: {A: 6.99e+09, b: 0.815, Ea: 9788.3} - equation: C4H72-1,4OOH <=> C4H7O1-2OOH-4 + OH # Reaction 1152 rate-constant: {A: 1.71e+09, b: 1.06, Ea: 1.09e+04} - equation: C4H72-1,4OOH <=> C4H7O1-3OOH-4 + OH # Reaction 1153 rate-constant: {A: 2.59e+09, b: 0.69, Ea: 1.6e+04} - equation: C4H71-2,3OOH <=> C4H7O1-2OOH-3 + OH # Reaction 1154 rate-constant: {A: 2.35e+10, b: 0.68, Ea: 1.08e+04} - equation: C4H71-2,3OOH <=> C4H7O1-3OOH-2 + OH # Reaction 1155 rate-constant: {A: 2.44e+09, b: 0.78, Ea: 1.8e+04} - equation: C4H71-3,4OOH => C2H4 + OH + HO2CH2CHO # Reaction 1156 rate-constant: {A: 1.23e+09, b: 1.3, Ea: 2.49e+04} - equation: C4H72-3,4OOH <=> C4H72-1OOH + HO2 # Reaction 1157 rate-constant: {A: 2.568e+11, b: 0.538, Ea: 1.53247e+04} - equation: C4H71-2,4OOH <=> C4H71-4OOH + HO2 # Reaction 1158 rate-constant: {A: 2.67e+11, b: 0.5, Ea: 1.58e+04} - equation: C4H72-1,3OOH <=> C4H72-1OOH + HO2 # Reaction 1159 rate-constant: {A: 2.568e+11, b: 0.538, Ea: 1.53247e+04} - equation: C4H72-1,3OOH <=> C4H71-3OOH + HO2 # Reaction 1160 rate-constant: {A: 6.03e+09, b: 0.95, Ea: 1.52e+04} - equation: C4H72-1,4OOH <=> C4H71-4OOH + HO2 # Reaction 1161 rate-constant: {A: 2.568e+11, b: 0.538, Ea: 1.53247e+04} - equation: C4H71-2,3OOH <=> C4H71-3OOH + HO2 # Reaction 1162 rate-constant: {A: 6.03e+09, b: 0.95, Ea: 1.52e+04} - equation: C4H72-1,4OOH <=> C4H72-1OOH + HO2 # Reaction 1163 rate-constant: {A: 2.67e+11, b: 0.5, Ea: 1.58e+04} - equation: C4H72-1OOH => CH2O + C3H5-S + OH # Reaction 1164 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C4H71-3OOH => C2H3CHO + CH3 + OH # Reaction 1165 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C4H71-3OOH => CH3CHO + C2H3 + OH # Reaction 1166 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: NC4KET12 => C2H5CHO + HCO + OH # Reaction 1167 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: NC4KET13 => CH3CHO + CH2CHO + OH # Reaction 1168 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.3e+04} - equation: NC4KET14 => CH2CH2CHO + CH2O + OH # Reaction 1169 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: NC4KET21 => CH2O + C2H5CO + OH # Reaction 1170 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: NC4KET23 => CH3CHO + CH3CO + OH # Reaction 1171 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: NC4KET24 => CH2O + CH3COCH2 + OH # Reaction 1172 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: HO2CH2CHO => CH2O + HCO + OH # Reaction 1173 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC4H10 (+ M) <=> CH3 + IC3H7 (+ M) # Reaction 1174 type: falloff low-P-rate-constant: {A: 2.41e+19, b: 0.0, Ea: 5.2576e+04} high-P-rate-constant: {A: 2.52e+31, b: -4.102, Ea: 9.1495e+04} Troe: {A: 0.3662, T3: 815.3, T1: 60.79, T2: 1.0e+20} - equation: IC4H10 <=> TC4H9 + H # Reaction 1175 rate-constant: {A: 2.51e+98, b: -23.81, Ea: 1.453e+05} - equation: IC4H10 <=> IC4H9 + H # Reaction 1176 rate-constant: {A: 9.85e+95, b: -23.11, Ea: 1.476e+05} - equation: IC4H10 + CH3 <=> IC4H9 + CH4 # Reaction 1177 rate-constant: {A: 1.36, b: 3.65, Ea: 7154.0} - equation: IC4H10 + H <=> IC4H9 + H2 # Reaction 1178 rate-constant: {A: 1.81e+06, b: 2.54, Ea: 6756.0} - equation: IC4H10 + OH <=> IC4H9 + H2O # Reaction 1179 rate-constant: {A: 6.654e+04, b: 2.665, Ea: -168.9} - equation: IC4H10 + C2H5 <=> IC4H9 + C2H6 # Reaction 1180 rate-constant: {A: 1.51e+12, b: 0.0, Ea: 1.04e+04} - equation: IC4H10 + HO2 <=> IC4H9 + H2O2 # Reaction 1181 rate-constant: {A: 61.2, b: 3.59, Ea: 1.716e+04} - equation: IC4H10 + O <=> IC4H9 + OH # Reaction 1182 rate-constant: {A: 4.046e+07, b: 2.034, Ea: 5136.0} - equation: IC4H10 + CH3O <=> IC4H9 + CH3OH # Reaction 1183 rate-constant: {A: 4.8e+11, b: 0.0, Ea: 7000.0} - equation: IC4H10 + O2 <=> IC4H9 + HO2 # Reaction 1184 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 5.229e+04} - equation: IC4H10 + CH3O2 <=> IC4H9 + CH3O2H # Reaction 1185 rate-constant: {A: 2.079, b: 3.97, Ea: 1.828e+04} - equation: IC4H10 + C2H5O2 <=> IC4H9 + C2H5O2H # Reaction 1186 rate-constant: {A: 2.55e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + CH3CO3 <=> IC4H9 + CH3CO3H # Reaction 1187 rate-constant: {A: 2.55e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + NC3H7O2 <=> IC4H9 + NC3H7O2H # Reaction 1188 rate-constant: {A: 2.55e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + IC3H7O2 <=> IC4H9 + IC3H7O2H # Reaction 1189 rate-constant: {A: 2.55e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + IC4H9O2 <=> IC4H9 + IC4H9O2H # Reaction 1190 rate-constant: {A: 2.55e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + TC4H9O2 <=> IC4H9 + TC4H9O2H # Reaction 1191 rate-constant: {A: 2.55e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + O2CHO <=> IC4H9 + HO2CHO # Reaction 1192 rate-constant: {A: 2.52e+13, b: 0.0, Ea: 2.044e+04} - equation: IC4H10 + SC4H9O2 <=> IC4H9 + SC4H9O2H # Reaction 1193 rate-constant: {A: 2.25e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + SC4H9O2 <=> TC4H9 + SC4H9O2H # Reaction 1194 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + PC4H9O2 <=> IC4H9 + PC4H9O2H # Reaction 1195 rate-constant: {A: 2.25e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H10 + H <=> TC4H9 + H2 # Reaction 1196 rate-constant: {A: 6.02e+05, b: 2.4, Ea: 2583.0} - equation: IC4H10 + CH3 <=> TC4H9 + CH4 # Reaction 1197 rate-constant: {A: 0.904, b: 3.46, Ea: 4598.0} - equation: IC4H10 + OH <=> TC4H9 + H2O # Reaction 1198 rate-constant: {A: 2.925e+04, b: 2.531, Ea: -1659.0} - equation: IC4H10 + C2H5 <=> TC4H9 + C2H6 # Reaction 1199 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7900.0} - equation: IC4H10 + HO2 <=> TC4H9 + H2O2 # Reaction 1200 rate-constant: {A: 433.2, b: 3.01, Ea: 1.209e+04} - equation: IC4H10 + O <=> TC4H9 + OH # Reaction 1201 rate-constant: {A: 1.968e+05, b: 2.402, Ea: 1150.0} - equation: IC4H10 + CH3O <=> TC4H9 + CH3OH # Reaction 1202 rate-constant: {A: 1.9e+10, b: 0.0, Ea: 2800.0} - equation: IC4H10 + O2 <=> TC4H9 + HO2 # Reaction 1203 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4.82e+04} - equation: IC4H10 + O2CHO <=> TC4H9 + HO2CHO # Reaction 1204 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.601e+04} - equation: IC4H10 + PC4H9O2 <=> TC4H9 + PC4H9O2H # Reaction 1205 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + CH3O2 <=> TC4H9 + CH3O2H # Reaction 1206 rate-constant: {A: 136.6, b: 3.12, Ea: 1.319e+04} - equation: IC4H10 + C2H5O2 <=> TC4H9 + C2H5O2H # Reaction 1207 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + CH3CO3 <=> TC4H9 + CH3CO3H # Reaction 1208 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + NC3H7O2 <=> TC4H9 + NC3H7O2H # Reaction 1209 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + IC3H7O2 <=> TC4H9 + IC3H7O2H # Reaction 1210 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + IC4H9O2 <=> TC4H9 + IC4H9O2H # Reaction 1211 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + TC4H9O2 <=> TC4H9 + TC4H9O2H # Reaction 1212 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.6e+04} - equation: IC4H10 + IC4H9 <=> TC4H9 + IC4H10 # Reaction 1213 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 7900.0} - equation: IC4H9 <=> TC4H9 # Reaction 1214 rate-constant: {A: 3.56e+10, b: 0.88, Ea: 3.46e+04} - equation: IC4H9 <=> C3H6 + CH3 # Reaction 1215 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 3.15e+41, b: -9.5, Ea: 3.3486e+04} - {P: 1.0 atm, A: 6.75e+44, b: -10.07, Ea: 3.7209e+04} - {P: 10.0 atm, A: 7.79e+44, b: -9.7, Ea: 3.9751e+04} - {P: 100.0 atm, A: 3.61e+39, b: -7.78, Ea: 3.9583e+04} - equation: TC4H9 + HO2 <=> TC4H9O + OH # Reaction 1216 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9 + CH3O2 <=> TC4H9O + CH3O # Reaction 1217 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9 + NC3H7O2 <=> TC4H9O + NC3H7O # Reaction 1218 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9 + SC4H9O2 <=> TC4H9O + SC4H9O # Reaction 1219 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9 + PC4H9O2 <=> TC4H9O + PC4H9O # Reaction 1220 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9 + IC3H7O2 <=> TC4H9O + IC3H7O # Reaction 1221 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9 + HO2 <=> IC4H9O + OH # Reaction 1222 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9 + CH3O2 <=> IC4H9O + CH3O # Reaction 1223 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9 + NC3H7O2 <=> IC4H9O + NC3H7O # Reaction 1224 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9 + SC4H9O2 <=> IC4H9O + SC4H9O # Reaction 1225 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9 + PC4H9O2 <=> IC4H9O + PC4H9O # Reaction 1226 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9 + IC3H7O2 <=> IC4H9O + IC3H7O # Reaction 1227 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CH3COCH3 + CH3 <=> TC4H9O # Reaction 1228 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 1.19e+04} - equation: TC4H9O + O2 <=> IC4H8O + HO2 # Reaction 1229 rate-constant: {A: 8.1e+11, b: 0.0, Ea: 4700.0} - equation: IC4H9O + H <=> IC3H7CHO + H2 # Reaction 1230 rate-constant: {A: 1.99e+13, b: 0.0, Ea: 0.0} - equation: IC4H9O + O2 <=> IC3H7CHO + HO2 # Reaction 1231 rate-constant: {A: 1.93e+11, b: 0.0, Ea: 1660.0} - equation: IC4H9O + O <=> IC3H7CHO + OH # Reaction 1232 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: IC4H9O + OH <=> IC3H7CHO + H2O # Reaction 1233 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: IC4H9O + HO2 <=> IC3H7CHO + H2O2 # Reaction 1234 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: IC4H9O + CH3 <=> IC3H7CHO + CH4 # Reaction 1235 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: IC3H7CHO + H <=> IC4H9O # Reaction 1236 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 5860.0} - equation: CH2O + IC3H7 <=> IC4H9O # Reaction 1237 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2330.0} - equation: TC3H6CHO + H <=> IC3H7CHO # Reaction 1238 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0} - equation: SC4H7OH-I <=> IC3H7CHO # Reaction 1239 rate-constant: {A: 8.59e+11, b: 0.318, Ea: 5.59e+04} - equation: IC3H7 + HCO <=> IC3H7CHO # Reaction 1240 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: IC4H8O <=> IC3H7CHO # Reaction 1241 rate-constant: {A: 4.18e+13, b: 0.0, Ea: 5.272e+04} - equation: IC3H7CHO + HO2 <=> IC3H7CO + H2O2 # Reaction 1242 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 1.192e+04} - equation: IC3H7CHO + CH3 <=> IC3H7CO + CH4 # Reaction 1243 rate-constant: {A: 3.98e+12, b: 0.0, Ea: 8700.0} - equation: IC3H7CHO + O <=> IC3H7CO + OH # Reaction 1244 rate-constant: {A: 7.18e+12, b: 0.0, Ea: 1389.0} - equation: IC3H7CHO + O2 <=> IC3H7CO + HO2 # Reaction 1245 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.76e+04} - equation: IC3H7CHO + OH <=> IC3H7CO + H2O # Reaction 1246 rate-constant: {A: 2.69e+10, b: 0.76, Ea: -340.0} - equation: IC3H7CHO + H <=> IC3H7CO + H2 # Reaction 1247 rate-constant: {A: 2.6e+12, b: 0.0, Ea: 2600.0} - equation: IC3H7CHO + OH <=> IC3H6CHO + H2O # Reaction 1248 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: IC3H7CHO + HO2 <=> IC3H6CHO + H2O2 # Reaction 1249 rate-constant: {A: 2.74e+04, b: 2.55, Ea: 1.55e+04} - equation: IC3H7CHO + CH3O2 <=> IC3H6CHO + CH3O2H # Reaction 1250 rate-constant: {A: 4.76e+04, b: 2.55, Ea: 1.649e+04} - equation: TC3H6CHO + H2 <=> IC3H7CHO + H # Reaction 1251 rate-constant: {A: 2.16e+05, b: 2.38, Ea: 1.899e+04} - equation: IC3H7CHO + HO2 <=> TC3H6CHO + H2O2 # Reaction 1252 rate-constant: {A: 8.0e+10, b: 0.0, Ea: 1.192e+04} - equation: IC3H7CHO + OH <=> TC3H6CHO + H2O # Reaction 1253 rate-constant: {A: 1.684e+12, b: 0.0, Ea: -781.0} - equation: IC4H8O + OH <=> IC3H6CHO + H2O # Reaction 1254 rate-constant: {A: 7.52e+04, b: 2.49, Ea: -1474.1} - equation: IC4H8O + H <=> IC3H6CHO + H2 # Reaction 1255 rate-constant: {A: 8.79e+04, b: 2.68, Ea: 2910.0} - equation: IC4H8O + HO2 <=> IC3H6CHO + H2O2 # Reaction 1256 rate-constant: {A: 2.45e-05, b: 5.26, Ea: 7475.1} - equation: IC4H8O + CH3O2 <=> IC3H6CHO + CH3O2H # Reaction 1257 rate-constant: {A: 1.225e-05, b: 5.26, Ea: 7475.1} - equation: IC4H8O + CH3 <=> IC3H6CHO + CH4 # Reaction 1258 rate-constant: {A: 19.93, b: 3.37, Ea: 7634.0} - equation: IC4H8O + O <=> IC3H6CHO + OH # Reaction 1259 rate-constant: {A: 1.45e+05, b: 2.47, Ea: 876.0} - equation: IC4H8O + O2 <=> IC3H6CHO + HO2 # Reaction 1260 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 5.015e+04} - equation: IC3H5CHO + H <=> TC3H6CHO # Reaction 1261 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 1200.0} - equation: IC3H6CO + H <=> TC3H6CHO # Reaction 1262 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 4800.0} - equation: IC3H6CO + OH <=> IC3H7 + CO2 # Reaction 1263 rate-constant: {A: 1.73e+12, b: 0.0, Ea: -1010.0} - equation: IC3H6CO + OH <=> C3H6OH2-1 + CO # Reaction 1264 rate-constant: {A: 2.0e+12, b: 0.0, Ea: -1010.0} - equation: TC3H6CHO + HO2 <=> IC3H7CHO + O2 # Reaction 1265 rate-constant: {A: 3.675e+12, b: 0.0, Ea: 1310.0} - equation: TC3H6CHO + CH3 <=> IC3H5CHO + CH4 # Reaction 1266 rate-constant: {A: 3.01e+12, b: -0.32, Ea: -131.0} - equation: TC3H6CHO + CH2O <=> IC3H7CHO + HCO # Reaction 1267 rate-constant: {A: 2.52e+08, b: 1.9, Ea: 1.819e+04} - equation: TC3H6CHO + IC4H8 <=> IC3H7CHO + IC4H7 # Reaction 1268 rate-constant: {A: 470.0, b: 3.3, Ea: 1.984e+04} - equation: TC3H6CHO + O2 <=> TC3H6O2CHO # Reaction 1269 rate-constant: {A: 1.99e+17, b: -2.1, Ea: 0.0} - equation: TC3H6O2CHO <=> IC3H5O2HCHO # Reaction 1270 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 2.988e+04} - equation: TC3H6O2CHO <=> TC3H6O2HCO # Reaction 1271 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 2.575e+04} - equation: IC3H5CHO + HO2 <=> IC3H5O2HCHO # Reaction 1272 rate-constant: {A: 2.23e+11, b: 0.0, Ea: 1.06e+04} - equation: TC3H6OCHO + OH <=> TC3H6CHO + HO2 # Reaction 1273 rate-constant: {A: 2.018e+17, b: -1.2, Ea: 2.101e+04} - equation: TC3H6OCHO <=> CH3COCH3 + HCO # Reaction 1274 rate-constant: {A: 3.98e+13, b: 0.0, Ea: 9700.0} - equation: TC3H6CHO + OH <=> IC3H6OHCHO # Reaction 1275 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C3H6OH2-1 + HCO <=> IC3H6OHCHO # Reaction 1276 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: IC3H5CHO + H <=> IC3H5CO + H2 # Reaction 1277 rate-constant: {A: 7.147404e+05, b: 2.35674, Ea: 1577.16272} - equation: IC3H5CHO + O2 <=> IC3H5CO + HO2 # Reaction 1278 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.07e+04} - equation: IC3H5CHO + O <=> IC3H5CO + OH # Reaction 1279 rate-constant: {A: 7.18e+12, b: 0.0, Ea: 1389.0} - equation: IC3H5CHO + OH <=> IC3H5CO + H2O # Reaction 1280 rate-constant: {A: 6.13299e+04, b: 2.65, Ea: -4586.4} - equation: IC3H5CHO + HO2 <=> IC3H5CO + H2O2 # Reaction 1281 rate-constant: {A: 1.1773e-04, b: 4.91966, Ea: 3684.27444} - equation: IC3H5CHO + CH3 <=> IC3H5CO + CH4 # Reaction 1282 rate-constant: {A: 1.24879, b: 3.63386, Ea: 4328.93484} - equation: IC3H5CHO + H <=> IC3H4CHO-A + H2 # Reaction 1283 rate-constant: {A: 3.64e+05, b: 2.455, Ea: 4361.2} - equation: IC3H5CHO + O2 <=> IC3H4CHO-A + HO2 # Reaction 1284 rate-constant: {A: 5.96e+19, b: -1.67, Ea: 4.61921e+04} - equation: IC3H5CHO + OH <=> IC3H4CHO-A + H2O # Reaction 1285 rate-constant: {A: 4.46e+06, b: 2.072, Ea: 1050.8} - equation: IC3H5CHO + O <=> IC3H4CHO-A + OH # Reaction 1286 rate-constant: {A: 5.24e+11, b: 0.7, Ea: 5884.0} - equation: IC3H5CHO + HO2 <=> IC3H4CHO-A + H2O2 # Reaction 1287 rate-constant: {A: 0.0307, b: 4.403, Ea: 1.35472e+04} - equation: IC3H5CHO + CH3 <=> IC3H4CHO-A + CH4 # Reaction 1288 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: IC3H5CO <=> C3H5-T + CO # Reaction 1289 rate-constant: {A: 1.278e+20, b: -1.89, Ea: 3.446e+04} - equation: C3H4-A + HCO <=> IC3H4CHO-A # Reaction 1290 rate-constant: {A: 4.020973e+04, b: 2.51815, Ea: 8847.53569} - equation: IC3H7 + CO <=> IC3H7CO # Reaction 1291 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 4810.0} - equation: C2H3CHO + CH3 <=> IC3H6CHO # Reaction 1292 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: SC4H7OH-I + HO2 <=> IC3H7CHO + HO2 # Reaction 1293 rate-constant: {A: 1.49e+05, b: 1.67, Ea: 6810.0} - equation: SC4H7OH-I + HOCHO <=> IC3H7CHO + HOCHO # Reaction 1294 rate-constant: {A: 0.0281, b: 3.286, Ea: -4509.0} - equation: SC4H7OH-I + H <=> IC4H6OH + H2 # Reaction 1295 rate-constant: {A: 7.29e+05, b: 2.455, Ea: 4361.2} - equation: SC4H7OH-I + O <=> IC4H6OH + OH # Reaction 1296 rate-constant: {A: 1.05e+12, b: 0.7, Ea: 5884.0} - equation: SC4H7OH-I + OH <=> IC4H6OH + H2O # Reaction 1297 rate-constant: {A: 4.395017e+04, b: 2.67841, Ea: -827.103} - equation: SC4H7OH-I + HO2 <=> IC4H6OH + H2O2 # Reaction 1298 rate-constant: {A: 0.292, b: 4.12, Ea: 1.2802e+04} - equation: SC4H7OH-I + CH3 <=> IC4H6OH + CH4 # Reaction 1299 rate-constant: {A: 4.42, b: 3.5, Ea: 5675.0} - equation: SC4H7OH-I + CH3O <=> IC4H6OH + CH3OH # Reaction 1300 rate-constant: {A: 1.68e+11, b: 0.0, Ea: 2600.0} - equation: SC4H7OH-I + CH3O2 <=> IC4H6OH + CH3O2H # Reaction 1301 rate-constant: {A: 1.928e+04, b: 2.6, Ea: 1.391e+04} - equation: IC4H6OH + H => CH3 + C3H4-A + OH # Reaction 1302 rate-constant: {A: 4.020973e+04, b: 2.51815, Ea: 8847.53569} - equation: TC4H9 + O2 <=> IC4H8 + HO2 # Reaction 1303 rate-constant: {A: 0.837, b: 3.59, Ea: 1.196e+04} - equation: IC4H9 + O2 <=> IC4H8 + HO2 # Reaction 1304 rate-constant: {A: 1.07, b: 3.71, Ea: 9322.0} - equation: IC4H9 + O2 <=> IC4H9O2 # Reaction 1305 rate-constant: {A: 6.6946e+13, b: -0.3, Ea: -187.2} - equation: TC4H9 + O2 <=> TC4H9O2 # Reaction 1306 rate-constant: {A: 6.6946e+13, b: -0.3, Ea: -187.2} - equation: IC4H9O2 <=> IC4H8 + HO2 # Reaction 1307 rate-constant: {A: 1.94e+08, b: 1.27, Ea: 2.96e+04} - equation: IC4H9O2 <=> IC4H8O2H-I # Reaction 1308 rate-constant: {A: 9.82e+07, b: 1.3, Ea: 2.15e+04} - equation: IC4H9O2 <=> IC4H8O2H-T # Reaction 1309 rate-constant: {A: 2.31e+09, b: 0.8, Ea: 2.71e+04} - equation: TC4H9O2 <=> TC4H8O2H-I # Reaction 1310 rate-constant: {A: 4.521e+09, b: 1.2, Ea: 3.35e+04} - equation: IC4H8O2H-I <=> CC4H8O + OH # Reaction 1311 rate-constant: {A: 4.47e+11, b: 0.0, Ea: 2.19e+04} - equation: IC4H8O2H-I => OH + CH2O + C3H6 # Reaction 1312 rate-constant: {A: 8.451e+15, b: -0.68, Ea: 2.917e+04} - equation: CC4H8O + OH => CH2O + C3H5-A + H2O # Reaction 1313 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CC4H8O + H => CH2O + C3H5-A + H2 # Reaction 1314 rate-constant: {A: 3.51e+07, b: 2.0, Ea: 5000.0} - equation: CC4H8O + O => CH2O + C3H5-A + OH # Reaction 1315 rate-constant: {A: 1.124e+14, b: 0.0, Ea: 5200.0} - equation: CC4H8O + HO2 => CH2O + C3H5-A + H2O2 # Reaction 1316 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CC4H8O + CH3O2 => CH2O + C3H5-A + CH3O2H # Reaction 1317 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: CC4H8O + CH3 => CH2O + C3H5-A + CH4 # Reaction 1318 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: IC4H8O2H-I + O2 <=> IC4H8OOH-IO2 # Reaction 1319 rate-constant: {A: 9.35316e+11, b: 0.1, Ea: -1010.88} - equation: IC4H8O2H-T + O2 <=> IC4H8OOH-TO2 # Reaction 1320 rate-constant: {A: 5.04482e+12, b: -0.1, Ea: -655.2} - equation: TC4H8O2H-I + O2 <=> TC4H8OOH-IO2 # Reaction 1321 rate-constant: {A: 2.284429e+10, b: 0.5, Ea: -786.24} - equation: IC4H8OOH-IO2 <=> IC4KETII + OH # Reaction 1322 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2.14e+04} - equation: IC4H8OOH-TO2 <=> IC4KETIT + OH # Reaction 1323 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 3.15e+04} - equation: IC4H8OOH-TO2 <=> TIC4H7Q2-I # Reaction 1324 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 3.45e+04} - equation: IC4H8OOH-IO2 <=> IIC4H7Q2-I # Reaction 1325 rate-constant: {A: 3.75e+10, b: 0.0, Ea: 2.44e+04} - equation: IC4H8OOH-IO2 <=> IIC4H7Q2-T # Reaction 1326 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 2.92e+04} - equation: TC4H8OOH-IO2 <=> TIC4H7Q2-I # Reaction 1327 rate-constant: {A: 9.82e+07, b: 1.3, Ea: 2.15e+04} - equation: IC4H8O2H-T <=> IC4H8O + OH # Reaction 1328 rate-constant: {A: 1.55e+12, b: 0.0, Ea: 1.34e+04} - equation: AC3H5OOH + CH2O2H <=> IIC4H7Q2-I # Reaction 1329 rate-constant: {A: 8.5e+10, b: 0.0, Ea: 1.06e+04} - equation: IC4H7OOH + HO2 <=> IIC4H7Q2-T # Reaction 1330 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: TIC4H7Q2-I <=> IC4H7OOH + HO2 # Reaction 1331 rate-constant: {A: 1.6e+12, b: 0.23, Ea: 1.52e+04} - equation: IC4KETII => CH2O + C2H5CO + OH # Reaction 1332 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC4H9O2 + CH3O2 => IC4H9O + CH3O + O2 # Reaction 1333 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + C2H5O2 => IC4H9O + C2H5O + O2 # Reaction 1334 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + CH3CO3 => IC4H9O + CH3CO2 + O2 # Reaction 1335 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + IC4H9O2 => O2 + IC4H9O + IC4H9O # Reaction 1336 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + TC4H9O2 => IC4H9O + TC4H9O + O2 # Reaction 1337 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + PC4H9O2 => IC4H9O + PC4H9O + O2 # Reaction 1338 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + SC4H9O2 => IC4H9O + SC4H9O + O2 # Reaction 1339 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + NC3H7O2 => IC4H9O + NC3H7O + O2 # Reaction 1340 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + IC3H7O2 => IC4H9O + IC3H7O + O2 # Reaction 1341 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + HO2 => IC4H9O + OH + O2 # Reaction 1342 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + CH3O2 => TC4H9O + CH3O + O2 # Reaction 1343 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + C2H5O2 => TC4H9O + C2H5O + O2 # Reaction 1344 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + CH3CO3 => TC4H9O + CH3CO2 + O2 # Reaction 1345 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + TC4H9O2 => O2 + TC4H9O + TC4H9O # Reaction 1346 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + PC4H9O2 => TC4H9O + PC4H9O + O2 # Reaction 1347 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + SC4H9O2 => TC4H9O + SC4H9O + O2 # Reaction 1348 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + NC3H7O2 => TC4H9O + NC3H7O + O2 # Reaction 1349 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + IC3H7O2 => TC4H9O + IC3H7O + O2 # Reaction 1350 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: TC4H9O2 + HO2 => TC4H9O + OH + O2 # Reaction 1351 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H9O2 + CH3 <=> IC4H9O + CH3O # Reaction 1352 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + C2H5 <=> IC4H9O + C2H5O # Reaction 1353 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + IC3H7 <=> IC4H9O + IC3H7O # Reaction 1354 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + NC3H7 <=> IC4H9O + NC3H7O # Reaction 1355 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + PC4H9 <=> IC4H9O + PC4H9O # Reaction 1356 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + SC4H9 <=> IC4H9O + SC4H9O # Reaction 1357 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + IC4H9 <=> IC4H9O + IC4H9O # Reaction 1358 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + TC4H9 <=> IC4H9O + TC4H9O # Reaction 1359 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + C3H5-A <=> IC4H9O + C3H5O # Reaction 1360 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + C4H71-3 <=> IC4H9O + C4H71-O # Reaction 1361 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2 + IC4H7 <=> IC4H9O + IC4H7O # Reaction 1362 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + CH3 <=> TC4H9O + CH3O # Reaction 1363 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + C2H5 <=> TC4H9O + C2H5O # Reaction 1364 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + IC3H7 <=> TC4H9O + IC3H7O # Reaction 1365 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + NC3H7 <=> TC4H9O + NC3H7O # Reaction 1366 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + PC4H9 <=> TC4H9O + PC4H9O # Reaction 1367 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + SC4H9 <=> TC4H9O + SC4H9O # Reaction 1368 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + IC4H9 <=> TC4H9O + IC4H9O # Reaction 1369 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + TC4H9 <=> TC4H9O + TC4H9O # Reaction 1370 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + C3H5-A <=> TC4H9O + C3H5O # Reaction 1371 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: TC4H9O2 + C4H71-3 <=> TC4H9O + C4H71-O # Reaction 1372 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H9O2H <=> IC4H9O + OH # Reaction 1373 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.25e+04} - equation: IC4H9O2 + HO2 <=> IC4H9O2H + O2 # Reaction 1374 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: IC4H9O2 + H2O2 <=> IC4H9O2H + HO2 # Reaction 1375 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: IC4H9O2 + H2 <=> IC4H9O2H + H # Reaction 1376 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: IC4H9O2 + CH4 <=> IC4H9O2H + CH3 # Reaction 1377 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H9O2 + CH3OH <=> IC4H9O2H + CH2OH # Reaction 1378 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: IC4H9O2 + CH2O <=> IC4H9O2H + HCO # Reaction 1379 rate-constant: {A: 1.3e+11, b: 0.0, Ea: 9000.0} - equation: IC4H9O2 + C2H6 <=> IC4H9O2H + C2H5 # Reaction 1380 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H9O2 + C2H4 <=> IC4H9O2H + C2H3 # Reaction 1381 rate-constant: {A: 8.59, b: 3.754, Ea: 2.7132e+04} - equation: IC4H9O2 + C2H5OH <=> IC4H9O2H + PC2H4OH # Reaction 1382 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: IC4H9O2 + C2H5OH <=> IC4H9O2H + SC2H4OH # Reaction 1383 rate-constant: {A: 4.2e+12, b: 0.0, Ea: 1.5e+04} - equation: IC4H9O2 + CH3CHO <=> IC4H9O2H + CH3CO # Reaction 1384 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: IC4H9O2 + C3H8 <=> IC4H9O2H + IC3H7 # Reaction 1385 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: IC4H9O2 + C3H8 <=> IC4H9O2H + NC3H7 # Reaction 1386 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: IC4H9O2 + C2H3CHO <=> IC4H9O2H + C2H3CO # Reaction 1387 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: IC4H9O2 + C2H5CHO <=> IC4H9O2H + C2H5CO # Reaction 1388 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: IC4H9O2 + C3H6 <=> IC4H9O2H + C3H5-A # Reaction 1389 rate-constant: {A: 0.0535, b: 4.207, Ea: 1.32881e+04} - equation: TC4H9O2H <=> TC4H9O + OH # Reaction 1390 rate-constant: {A: 5.95e+15, b: 0.0, Ea: 4.254e+04} - equation: TC4H9O2 + CH4 <=> TC4H9O2H + CH3 # Reaction 1391 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 2.046e+04} - equation: TC4H9O2 + C2H6 <=> TC4H9O2H + C2H5 # Reaction 1392 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: TC4H9O2 + C3H8 <=> TC4H9O2H + IC3H7 # Reaction 1393 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: TC4H9O2 + C3H8 <=> TC4H9O2H + NC3H7 # Reaction 1394 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: TC4H9O2 + CH3OH <=> TC4H9O2H + CH2OH # Reaction 1395 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: TC4H9O2 + C2H5OH <=> TC4H9O2H + PC2H4OH # Reaction 1396 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: TC4H9O2 + C2H5OH <=> TC4H9O2H + SC2H4OH # Reaction 1397 rate-constant: {A: 4.2e+12, b: 0.0, Ea: 1.5e+04} - equation: TC4H9O2 + CH3CHO <=> TC4H9O2H + CH3CO # Reaction 1398 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: TC4H9O2 + C2H3CHO <=> TC4H9O2H + C2H3CO # Reaction 1399 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: TC4H9O2 + C2H5CHO <=> TC4H9O2H + C2H5CO # Reaction 1400 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: TC4H9O2 + HO2 <=> TC4H9O2H + O2 # Reaction 1401 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: TC4H9O2 + H2O2 <=> TC4H9O2H + HO2 # Reaction 1402 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: TC4H9O2 + CH2O <=> TC4H9O2H + HCO # Reaction 1403 rate-constant: {A: 1.3e+11, b: 0.0, Ea: 9000.0} - equation: TC4H9O2 + C2H4 <=> TC4H9O2H + C2H3 # Reaction 1404 rate-constant: {A: 8.59, b: 3.754, Ea: 2.7132e+04} - equation: TC4H9O2 + H2 <=> TC4H9O2H + H # Reaction 1405 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: TC4H9O2 + C3H6 <=> TC4H9O2H + C3H5-A # Reaction 1406 rate-constant: {A: 0.0535, b: 4.207, Ea: 1.32881e+04} - equation: IC4H8 <=> IC4H7-I1 + H # Reaction 1407 rate-constant: {A: 7.71e+69, b: -16.09, Ea: 1.4e+05} - equation: IC4H8 <=> C3H5-T + CH3 # Reaction 1408 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.26e+94, b: -22.99, Ea: 1.34024e+05} - {P: 1.0 atm, A: 6.76e+93, b: -22.51, Ea: 1.37933e+05} - {P: 3.5 atm, A: 3.14e+90, b: -21.37, Ea: 1.37866e+05} - {P: 10.0 atm, A: 9.2e+85, b: -19.94, Ea: 1.36498e+05} - {P: 35.0 atm, A: 6.05e+78, b: -17.76, Ea: 1.33437e+05} - {P: 100.0 atm, A: 4.87e+71, b: -15.65, Ea: 1.29919e+05} - equation: IC4H8 <=> IC4H7 + H # Reaction 1409 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 7.51e+95, b: -23.38, Ea: 1.29214e+05} - {P: 1.0 atm, A: 3.59e+88, b: -20.99, Ea: 1.27813e+05} - {P: 3.5 atm, A: 2.96e+82, b: -19.12, Ea: 1.25456e+05} - {P: 10.0 atm, A: 2.13e+76, b: -17.27, Ea: 1.22629e+05} - {P: 35.0 atm, A: 1.13e+68, b: -14.82, Ea: 1.18416e+05} - {P: 100.0 atm, A: 4.73e+60, b: -12.66, Ea: 1.14404e+05} - equation: IC4H8 + OH <=> IC4H7 + H2O # Reaction 1410 rate-constant: {A: 4.395017e+04, b: 2.67841, Ea: -827.103} - equation: IC4H8 + OH <=> IC4H7-I1 + H2O # Reaction 1411 rate-constant: {A: 1.093009e+04, b: 2.81477, Ea: 1114.19989} - equation: IC4H8 + O2 <=> IC4H7 + HO2 # Reaction 1412 rate-constant: {A: 3.12e+13, b: 0.0, Ea: 3.745e+04} - equation: IC4H8 + O2 <=> IC4H7-I1 + HO2 # Reaction 1413 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 6.227e+04} - equation: IC4H8 + H <=> IC4H7 + H2 # Reaction 1414 rate-constant: {A: 7.29e+05, b: 2.455, Ea: 4361.2} - equation: IC4H8 + H <=> IC4H7-I1 + H2 # Reaction 1415 rate-constant: {A: 862.1, b: 3.25, Ea: 1.216698e+04} - equation: IC4H8 + O <=> IC4H7 + OH # Reaction 1416 rate-constant: {A: 1.05e+12, b: 0.7, Ea: 5884.0} - equation: IC4H8 + O <=> IC4H7-I1 + OH # Reaction 1417 rate-constant: {A: 1.2e+11, b: 0.7, Ea: 8959.1} - equation: IC4H8 + HO2 <=> IC4H7 + H2O2 # Reaction 1418 rate-constant: {A: 0.292, b: 4.12, Ea: 1.2802e+04} - equation: IC4H8 + HO2 <=> IC4H7-I1 + H2O2 # Reaction 1419 rate-constant: {A: 9.703894e+04, b: 2.54892, Ea: 2.473317153e+04} - equation: IC4H8 + CH3 <=> IC4H7 + CH4 # Reaction 1420 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 1.0e+04} - equation: IC4H8 + CH3 <=> IC4H7-I1 + CH4 # Reaction 1421 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.5e+04} - equation: IC4H8 + CH3O <=> IC4H7 + CH3OH # Reaction 1422 rate-constant: {A: 1.68e+11, b: 0.0, Ea: 2600.0} - equation: IC4H8 + C3H5-A <=> IC4H7 + C3H6 # Reaction 1423 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 2.05e+04} - equation: IC4H8 + C3H5-S <=> IC4H7 + C3H6 # Reaction 1424 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 2.05e+04} - equation: IC4H8 + C3H5-T <=> IC4H7 + C3H6 # Reaction 1425 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 2.05e+04} - equation: IC4H8 + CH3O2 <=> IC4H7 + CH3O2H # Reaction 1426 rate-constant: {A: 0.154, b: 4.403, Ea: 1.35472e+04} - equation: IC4H8 + CH3CO3 <=> IC4H7 + CH3CO3H # Reaction 1427 rate-constant: {A: 0.154, b: 4.403, Ea: 1.35472e+04} - equation: IC4H8 + O2CHO <=> IC4H7 + HO2CHO # Reaction 1428 rate-constant: {A: 1.928e+04, b: 2.6, Ea: 1.391e+04} - equation: IC4H9O2 + IC4H8 <=> IC4H9O2H + IC4H7 # Reaction 1429 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: TC4H9O2 + IC4H8 <=> TC4H9O2H + IC4H7 # Reaction 1430 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: PC4H9O2 + IC4H8 <=> PC4H9O2H + IC4H7 # Reaction 1431 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: SC4H9O2 + IC4H8 <=> SC4H9O2H + IC4H7 # Reaction 1432 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: IC3H7O2 + IC4H8 <=> IC3H7O2H + IC4H7 # Reaction 1433 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: NC3H7O2 + IC4H8 <=> NC3H7O2H + IC4H7 # Reaction 1434 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: IC4H7O + IC4H8 <=> IC4H7OH + IC4H7 # Reaction 1435 rate-constant: {A: 2.7e+11, b: 0.0, Ea: 4000.0} - equation: IC4H8 + CH2CCH2OH <=> IC4H7 + C3H5OH # Reaction 1436 rate-constant: {A: 7.94e+11, b: 0.0, Ea: 2.05e+04} - equation: IC4H7 <=> IC4H7-I1 # Reaction 1437 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.3e+55, b: -14.53, Ea: 7.38e+04} - {P: 1.0 atm, A: 5.0e+51, b: -13.02, Ea: 7.33e+04} - {P: 10.0 atm, A: 9.7e+48, b: -11.73, Ea: 7.37e+04} - {P: 100.0 atm, A: 4.86e+44, b: -9.84, Ea: 7.34e+04} - equation: C3H4-A + CH3 <=> IC4H7 # Reaction 1438 rate-constant: {A: 4.02097e+04, b: 2.5, Ea: 8847.5} - equation: IC4H7 + HO2 <=> IC4H7O + OH # Reaction 1439 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.02e+13, b: -0.158, Ea: -1417.0} - {P: 0.1 atm, A: 4.98e+14, b: -0.642, Ea: -349.1} - {P: 1.0 atm, A: 7.77e+17, b: -1.52, Ea: 2379.2} - {P: 10.0 atm, A: 2.93e+15, b: -0.684, Ea: 3615.3} - {P: 100.0 atm, A: 1.64e+04, b: 2.74, Ea: 1144.4} - equation: IC4H7 + HO2 <=> IC4H7OOH # Reaction 1440 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.91e+31, b: -7.23, Ea: 1336.2} - {P: 0.1 atm, A: 6.31e+42, b: -10.3, Ea: 5568.9} - {P: 1.0 atm, A: 1.03e+45, b: -10.6, Ea: 7851.5} - {P: 10.0 atm, A: 2.79e+37, b: -7.92, Ea: 6497.9} - {P: 100.0 atm, A: 1.44e+32, b: -6.01, Ea: 6053.6} - equation: IC4H7 + HO2 <=> IC3H5CHO + H2O # Reaction 1441 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.09, b: 3.01, Ea: -3421.1} - {P: 0.1 atm, A: 63.5, b: 2.5, Ea: -2341.4} - {P: 1.0 atm, A: 6.05e+05, b: 1.39, Ea: 595.1} - {P: 10.0 atm, A: 3.1e+05, b: 1.59, Ea: 2677.6} - {P: 100.0 atm, A: 5.07e-05, b: 4.59, Ea: 927.5} - equation: IC4H7OOH <=> IC3H5CHO + H2O # Reaction 1442 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.99e+50, b: -12.7, Ea: 5.35319e+04} - {P: 0.1 atm, A: 4.72e+47, b: -11.5, Ea: 5.43609e+04} - {P: 1.0 atm, A: 1.5e+40, b: -8.84, Ea: 5.31792e+04} - {P: 10.0 atm, A: 2.54e+28, b: -5.0, Ea: 4.99194e+04} - {P: 100.0 atm, A: 1.48e+16, b: -1.12, Ea: 4.59493e+04} - equation: IC4H7OOH <=> IC4H7O + OH # Reaction 1443 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.49e+58, b: -13.9, Ea: 5.42669e+04} - {P: 0.1 atm, A: 1.8e+54, b: -12.4, Ea: 5.41938e+04} - {P: 1.0 atm, A: 3.36e+46, b: -9.81, Ea: 5.24685e+04} - {P: 10.0 atm, A: 2.39e+36, b: -6.54, Ea: 4.9429e+04} - {P: 100.0 atm, A: 1.28e+27, b: -3.61, Ea: 4.63331e+04} - equation: IC4H7O <=> C3H5-T + CH2O # Reaction 1444 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 7.26e+06, b: 0.182, Ea: 1.78155e+04} - {P: 0.01 atm, A: 6.97e+16, b: -2.5, Ea: 2.08787e+04} - {P: 0.1 atm, A: 6.64e+23, b: -4.23, Ea: 2.3565e+04} - {P: 1.0 atm, A: 1.07e+26, b: -4.56, Ea: 2.46229e+04} - {P: 10.0 atm, A: 6.5e+29, b: -5.37, Ea: 2.6645e+04} - {P: 100.0 atm, A: 4.63e+31, b: -5.59, Ea: 2.89153e+04} - {P: 1000.0 atm, A: 8.52e+25, b: -3.61, Ea: 2.78634e+04} - equation: IC4H7O <=> IC3H5OCH2 # Reaction 1445 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.17e+20, b: -4.15, Ea: 1.21213e+04} - {P: 0.01 atm, A: 4.79e+24, b: -5.03, Ea: 1.46061e+04} - {P: 0.1 atm, A: 1.9e+26, b: -5.16, Ea: 1.61244e+04} - {P: 1.0 atm, A: 1.51e+28, b: -5.4, Ea: 1.81654e+04} - {P: 10.0 atm, A: 2.42e+28, b: -5.17, Ea: 1.96912e+04} - {P: 100.0 atm, A: 5.57e+24, b: -3.86, Ea: 1.93952e+04} - {P: 1000.0 atm, A: 1.35e+18, b: -1.73, Ea: 1.73865e+04} - equation: IC4H7O <=> IC3H6CHO # Reaction 1446 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.25e-49, b: 15.5, Ea: -1.56399e+04} - {P: 0.01 atm, A: 1.46e-88, b: 27.6, Ea: -3.5995e+04} - {P: 0.1 atm, A: 4.44e-22, b: 8.38, Ea: -3819.0} - {P: 1.0 atm, A: 6.23e+12, b: -1.44, Ea: 1.08292e+04} - {P: 10.0 atm, A: 3.48e+42, b: -9.91, Ea: 2.52979e+04} - {P: 100.0 atm, A: 1.88e+38, b: -8.16, Ea: 2.59745e+04} - {P: 1000.0 atm, A: 1.67e+21, b: -2.74, Ea: 2.03377e+04} - equation: IC4H7O <=> IC3H5CHO + H # Reaction 1447 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.0e+15, b: -2.31, Ea: 1.46679e+04} - {P: 0.01 atm, A: 1.5e+22, b: -3.96, Ea: 1.8283e+04} - {P: 0.1 atm, A: 1.95e+23, b: -3.99, Ea: 1.91433e+04} - {P: 1.0 atm, A: 1.15e+25, b: -4.24, Ea: 2.03112e+04} - {P: 10.0 atm, A: 1.76e+28, b: -4.89, Ea: 2.27652e+04} - {P: 100.0 atm, A: 1.41e+27, b: -4.28, Ea: 2.37706e+04} - {P: 1000.0 atm, A: 2.57e+20, b: -2.06, Ea: 2.20401e+04} - equation: IC4H7O <=> C3H6 + HCO # Reaction 1448 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.62e+16, b: -2.84, Ea: 1.3197e+04} - {P: 0.01 atm, A: 1.26e+20, b: -3.53, Ea: 1.54692e+04} - {P: 0.1 atm, A: 2.13e+21, b: -3.64, Ea: 1.65845e+04} - {P: 1.0 atm, A: 1.07e+24, b: -4.16, Ea: 1.8985e+04} - {P: 10.0 atm, A: 8.42e+25, b: -4.4, Ea: 2.23826e+04} - {P: 100.0 atm, A: 1.86e+21, b: -2.73, Ea: 2.36588e+04} - {P: 1000.0 atm, A: 4.75e+08, b: 1.14, Ea: 2.09225e+04} - equation: IC3H5OCH2 <=> C3H5-T + CH2O # Reaction 1449 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.3e+09, b: -0.638, Ea: 1.97478e+04} - {P: 0.01 atm, A: 3.36e+21, b: -3.9, Ea: 2.39452e+04} - {P: 0.1 atm, A: 2.91e+29, b: -5.9, Ea: 2.72497e+04} - {P: 1.0 atm, A: 1.83e+34, b: -6.94, Ea: 3.06904e+04} - {P: 10.0 atm, A: 9.72e+33, b: -6.5, Ea: 3.30025e+04} - {P: 100.0 atm, A: 2.68e+27, b: -4.26, Ea: 3.33056e+04} - {P: 1000.0 atm, A: 8.81e+14, b: -0.326, Ea: 3.15531e+04} - equation: IC3H5OCH2 <=> IC3H6CHO # Reaction 1450 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.01e-92, b: 27.8, Ea: -3.73212e+04} - {P: 0.01 atm, A: 7.78e-11, b: 3.7, Ea: -2766.9} - {P: 0.1 atm, A: 5.11e+15, b: -2.76, Ea: 1.59376e+04} - {P: 1.0 atm, A: 4.48e+25, b: -5.2, Ea: 2.15322e+04} - {P: 10.0 atm, A: 3.97e+34, b: -7.41, Ea: 2.81169e+04} - {P: 100.0 atm, A: 5.62e+22, b: -3.56, Ea: 2.58067e+04} - {P: 1000.0 atm, A: 2.51e+20, b: -2.63, Ea: 2.92884e+04} - equation: IC3H5OCH2 <=> IC3H5CHO + H # Reaction 1451 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 4.93e+24, b: -5.05, Ea: 2.01084e+04} - {P: 0.01 atm, A: 2.14e+28, b: -5.8, Ea: 2.22194e+04} - {P: 0.1 atm, A: 1.93e+32, b: -6.64, Ea: 2.51082e+04} - {P: 1.0 atm, A: 8.6e+34, b: -7.11, Ea: 2.82091e+04} - {P: 10.0 atm, A: 2.17e+34, b: -6.64, Ea: 3.06476e+04} - {P: 100.0 atm, A: 4.17e+28, b: -4.71, Ea: 3.12319e+04} - {P: 1000.0 atm, A: 3.98e+18, b: -1.62, Ea: 3.01298e+04} - equation: IC3H5OCH2 <=> C3H6 + HCO # Reaction 1452 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.23e+26, b: -5.84, Ea: 1.93569e+04} - {P: 0.01 atm, A: 1.32e+29, b: -6.21, Ea: 2.12936e+04} - {P: 0.1 atm, A: 3.47e+32, b: -6.96, Ea: 2.41973e+04} - {P: 1.0 atm, A: 1.44e+36, b: -7.76, Ea: 2.80078e+04} - {P: 10.0 atm, A: 9.72e+37, b: -8.02, Ea: 3.23946e+04} - {P: 100.0 atm, A: 2.43e+31, b: -5.81, Ea: 3.42958e+04} - {P: 1000.0 atm, A: 3.73e+14, b: -0.726, Ea: 3.20083e+04} - equation: IC3H6CHO <=> C3H5-T + CH2O # Reaction 1453 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.89e-69, b: 21.5, Ea: 2638.0} - {P: 0.01 atm, A: 5.34e-33, b: 11.1, Ea: 1.67491e+04} - {P: 0.1 atm, A: 6.11e+26, b: -6.01, Ea: 4.41167e+04} - {P: 1.0 atm, A: 8.04e+35, b: -8.31, Ea: 4.69197e+04} - {P: 10.0 atm, A: 5.52e+40, b: -9.19, Ea: 5.05087e+04} - {P: 100.0 atm, A: 5.85e+35, b: -7.18, Ea: 5.20384e+04} - {P: 1000.0 atm, A: 1.93e+19, b: -1.94, Ea: 4.844e+04} - equation: IC3H6CHO <=> IC3H5CHO + H # Reaction 1454 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.61e+10, b: -1.24, Ea: 3.23713e+04} - {P: 0.01 atm, A: 5.84e+15, b: -2.61, Ea: 3.28784e+04} - {P: 0.1 atm, A: 3.64e+23, b: -4.6, Ea: 3.42753e+04} - {P: 1.0 atm, A: 7.58e+31, b: -6.63, Ea: 3.78954e+04} - {P: 10.0 atm, A: 2.86e+32, b: -6.3, Ea: 3.99907e+04} - {P: 100.0 atm, A: 1.57e+23, b: -3.14, Ea: 3.80117e+04} - {P: 1000.0 atm, A: 4.52e+12, b: 0.214, Ea: 3.45705e+04} - equation: IC3H6CHO <=> C3H6 + HCO # Reaction 1455 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.9e+32, b: -7.24, Ea: 2.56875e+04} - {P: 0.01 atm, A: 5.3e+33, b: -7.28, Ea: 2.71006e+04} - {P: 0.1 atm, A: 2.0e+35, b: -7.41, Ea: 2.90273e+04} - {P: 1.0 atm, A: 1.01e+34, b: -6.7, Ea: 3.00181e+04} - {P: 10.0 atm, A: 9.76e+27, b: -4.63, Ea: 2.89239e+04} - {P: 100.0 atm, A: 2.11e+19, b: -1.85, Ea: 2.62398e+04} - {P: 1000.0 atm, A: 1.59e+13, b: 0.063, Ea: 2.40863e+04} - equation: C3H5-T + CH2O <=> IC3H5CHO + H # Reaction 1456 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.6e+04, b: 2.26, Ea: 1510.3} - {P: 0.01 atm, A: 5.13e+04, b: 2.17, Ea: 1675.5} - {P: 0.1 atm, A: 3.99e+05, b: 1.91, Ea: 2218.3} - {P: 1.0 atm, A: 1.75e+07, b: 1.45, Ea: 3428.0} - {P: 10.0 atm, A: 1.35e+09, b: 0.933, Ea: 5173.0} - {P: 100.0 atm, A: 2.24e+11, b: 0.357, Ea: 8001.3} - {P: 1000.0 atm, A: 6.01e+05, b: 2.09, Ea: 7895.6} - equation: C3H5-T + CH2O <=> C3H6 + HCO # Reaction 1457 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.11e+07, b: 1.09, Ea: 1807.2} - {P: 0.01 atm, A: 2.47e+07, b: 0.993, Ea: 1994.9} - {P: 0.1 atm, A: 2.47e+08, b: 0.704, Ea: 2596.2} - {P: 1.0 atm, A: 1.42e+10, b: 0.209, Ea: 3934.2} - {P: 10.0 atm, A: 3.45e+13, b: -0.726, Ea: 6944.3} - {P: 100.0 atm, A: 3.31e+14, b: -0.866, Ea: 1.09657e+04} - {P: 1000.0 atm, A: 16.5, b: 3.17, Ea: 9399.8} - equation: IC4H7 + CH3O2 <=> IC4H7O + CH3O # Reaction 1458 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.33e+12, b: -0.158, Ea: -1417.0} - {P: 0.1 atm, A: 1.66e+14, b: -0.642, Ea: -349.1} - {P: 1.0 atm, A: 2.595e+17, b: -1.52, Ea: 2379.2} - {P: 10.0 atm, A: 9.78e+14, b: -0.684, Ea: 3615.3} - {P: 100.0 atm, A: 5470.0, b: 2.74, Ea: 1144.4} - equation: IC4H7 + CH3O2 <=> IC4H7OOCH3 # Reaction 1459 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.91e+31, b: -7.23, Ea: 1336.2} - {P: 0.1 atm, A: 6.31e+42, b: -10.3, Ea: 5568.9} - {P: 1.0 atm, A: 1.03e+45, b: -10.6, Ea: 7851.5} - {P: 10.0 atm, A: 2.79e+37, b: -7.92, Ea: 6497.9} - {P: 100.0 atm, A: 3.4e+29, b: -5.28, Ea: 4539.8} - equation: IC4H7OOCH3 <=> IC4H7O + CH3O # Reaction 1460 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.49e+58, b: -13.9, Ea: 5.42669e+04} - {P: 0.1 atm, A: 1.8e+54, b: -12.4, Ea: 5.41938e+04} - {P: 1.0 atm, A: 3.36e+46, b: -9.81, Ea: 5.24685e+04} - {P: 10.0 atm, A: 2.39e+36, b: -6.54, Ea: 4.9429e+04} - {P: 100.0 atm, A: 2.56e+27, b: -3.61, Ea: 4.63331e+04} - equation: IC4H7O2 + IC4H7 <=> IC4H7O + IC4H7O # Reaction 1461 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.55e+12, b: -0.158, Ea: -1417.0} - {P: 0.1 atm, A: 1.25e+14, b: -0.642, Ea: -349.1} - {P: 1.0 atm, A: 1.94e+17, b: -1.52, Ea: 2379.2} - {P: 10.0 atm, A: 7.33e+14, b: -0.684, Ea: 3615.3} - {P: 100.0 atm, A: 4100.0, b: 2.74, Ea: 1144.4} - equation: IC4H7O2 + IC4H7 <=> IC4H7OOIC4H7 # Reaction 1462 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.78e+30, b: -7.23, Ea: 1336.2} - {P: 0.1 atm, A: 1.58e+42, b: -10.3, Ea: 5568.9} - {P: 1.0 atm, A: 2.58e+44, b: -10.6, Ea: 7851.5} - {P: 10.0 atm, A: 6.98e+36, b: -7.92, Ea: 6497.9} - {P: 100.0 atm, A: 3.6e+31, b: -6.01, Ea: 6053.6} - equation: IC4H7OOIC4H7 <=> IC4H7O + IC4H7O # Reaction 1463 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.73e+57, b: -13.9, Ea: 5.42669e+04} - {P: 0.1 atm, A: 4.5e+53, b: -12.4, Ea: 5.41938e+04} - {P: 1.0 atm, A: 8.4e+45, b: -9.81, Ea: 5.24685e+04} - {P: 10.0 atm, A: 5.98e+35, b: -6.54, Ea: 4.9429e+04} - {P: 100.0 atm, A: 3.2e+26, b: -3.61, Ea: 4.63331e+04} - equation: IC4H7 + NC3H7O2 <=> IC4H7O + NC3H7O # Reaction 1464 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H7 + PC4H9O2 <=> IC4H7O + PC4H9O # Reaction 1465 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H7 + SC4H9O2 <=> IC4H7O + SC4H9O # Reaction 1466 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H7 + IC3H7O2 <=> IC4H7O + IC3H7O # Reaction 1467 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H7 + TC4H9O2 <=> IC4H7O + TC4H9O # Reaction 1468 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC4H7 + IC4H7 <=> C3H4-A + AC5H10 # Reaction 1469 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 4.1e+40, b: -9.3, Ea: 1.247e+04} - {P: 4.0 atm, A: 3.41e+32, b: -6.8, Ea: 9180.0} - {P: 10.0 atm, A: 1.26e+28, b: -5.5, Ea: 7410.0} - equation: IC4H7 + IC4H7 <=> H15DE25DM # Reaction 1470 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.039 atm, A: 3.27e+64, b: -15.935, Ea: 2.023e+04} - {P: 0.078 atm, A: 7.5e+59, b: -14.49, Ea: 1.86e+04} - {P: 0.156 atm, A: 1.14e+55, b: -12.995, Ea: 1.67e+04} - equation: H15DE25DM + H <=> H15DE25DM-S + H2 # Reaction 1471 rate-constant: {A: 1.42e+06, b: 2.315165407, Ea: 2075.955844} - equation: H15DE25DM + O2 <=> H15DE25DM-S + HO2 # Reaction 1472 rate-constant: {A: 4.0e+14, b: 0.0, Ea: 3.889e+04} - equation: H15DE25DM + O <=> H15DE25DM-S + OH # Reaction 1473 rate-constant: {A: 1.59243e+11, b: 0.7, Ea: 13.0} - equation: H15DE25DM + OH <=> H15DE25DM-S + H2O # Reaction 1474 rate-constant: {A: 8.95e+04, b: 2.636965672, Ea: -6.0} - equation: H15DE25DM + HO2 <=> H15DE25DM-S + H2O2 # Reaction 1475 rate-constant: {A: 1.0, b: 3.887366896, Ea: 9386.357213} - equation: H15DE25DM + CH3 <=> H15DE25DM-S + CH4 # Reaction 1476 rate-constant: {A: 1.0, b: 3.649020008, Ea: 3374.05195} - equation: H15DE25DM + H <=> H15DE25DM-A + H2 # Reaction 1477 rate-constant: {A: 7.29e+05, b: 2.455, Ea: 4361.2} - equation: H15DE25DM + O2 <=> H15DE25DM-A + HO2 # Reaction 1478 rate-constant: {A: 1.86e+09, b: 1.301, Ea: 4.0939e+04} - equation: H15DE25DM + O <=> H15DE25DM-A + OH # Reaction 1479 rate-constant: {A: 1.05e+12, b: 0.7, Ea: 5884.0} - equation: H15DE25DM + OH <=> H15DE25DM-A + H2O # Reaction 1480 rate-constant: {A: 2.53e+05, b: 2.46, Ea: 729.44} - equation: H15DE25DM + HO2 <=> H15DE25DM-A + H2O2 # Reaction 1481 rate-constant: {A: 0.292, b: 4.12, Ea: 1.2802e+04} - equation: H15DE25DM + CH3 <=> H15DE25DM-A + CH4 # Reaction 1482 rate-constant: {A: 4.42, b: 3.5, Ea: 5675.0} - equation: C3H5-T + B13DE2M <=> H15DE25DM-S # Reaction 1483 rate-constant: {A: 7070.0, b: 2.48, Ea: 6130.0} - equation: C3H4-A + AC5H9-D <=> H15DE25DM-A # Reaction 1484 rate-constant: {A: 2.84e+04, b: 2.5, Ea: 8847.5} - equation: H15DE25DM-S + HO2 <=> H15DE25DM-SO + OH # Reaction 1485 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: IC3H5CHO + IC4H7 <=> H15DE25DM-SO # Reaction 1486 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 6329.74} - equation: C3H5-T + IC4H7CHO <=> H15DE25DM-SO # Reaction 1487 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.552642e+04} - equation: IC4H7CHO + OH => CH2CHO + C3H4-A + H2O # Reaction 1488 rate-constant: {A: 5.064e+07, b: 2.46, Ea: 729.44} - equation: H15DE25DM-A + HO2 <=> H15DE25DM-AO + OH # Reaction 1489 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: H15DE2M-T + CH2O <=> H15DE25DM-AO # Reaction 1490 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 4786.58} - equation: IC4H7 + C3H4-A <=> H15DE2M-T # Reaction 1491 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: IC4H7-I1 + H <=> C3H4-A + CH4 # Reaction 1492 rate-constant: {A: 3.333e+12, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + H <=> C3H4-P + CH4 # Reaction 1493 rate-constant: {A: 3.34e+12, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + O <=> C3H6 + HCO # Reaction 1494 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + OH => C3H6 + HCO + H # Reaction 1495 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + HO2 => C3H6 + HCO + OH # Reaction 1496 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + HCO <=> IC4H8 + CO # Reaction 1497 rate-constant: {A: 9.0e+13, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + CH3 <=> C3H4-P + C2H6 # Reaction 1498 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: IC4H7-I1 + O2 <=> CH3COCH3 + HCO # Reaction 1499 rate-constant: {A: 3.1e+31, b: -5.944, Ea: 5748.4} - equation: IC4H7-I1 + O2 <=> TC3H6CHO + O # Reaction 1500 rate-constant: {A: 5.38e+18, b: -2.14, Ea: 5142.9} - equation: IC4H7-I1 + O2 <=> IC3H5CHO + OH # Reaction 1501 rate-constant: {A: 2.7e+19, b: -2.14, Ea: 5142.9} - equation: IC4H7 + O2 <=> IC4H7O2 # Reaction 1502 rate-constant: {A: 1.09e+10, b: 0.56725, Ea: 2290.0} - equation: IC4H7 + O <=> IC3H5CHO + H # Reaction 1503 rate-constant: {A: 6.03e+13, b: 0.0, Ea: 0.0} - equation: IC4H7O2 <=> IC4H6OOH-I # Reaction 1504 rate-constant: {A: 1.41e+05, b: 1.83586, Ea: 1.982e+04} - equation: IC4H7O2 <=> CCYCCOOC-T1 # Reaction 1505 rate-constant: {A: 1.19e+08, b: 0.80412, Ea: 2.802e+04} - equation: IC4H7O2 <=> C2CYCOOC-I1 # Reaction 1506 rate-constant: {A: 1.07e+08, b: 0.89161, Ea: 2.972e+04} - equation: IC4H7O2 <=> IC4H7O + O # Reaction 1507 rate-constant: {A: 1.82e+14, b: 0.0, Ea: 6.062e+04} - equation: IC4H7O2 <=> IC3H5CHO + OH # Reaction 1508 rate-constant: {A: 1.52e+09, b: 1.02524, Ea: 3.946e+04} - equation: IC4H6OOH-I <=> CVCYCCOC + OH # Reaction 1509 rate-constant: {A: 6.82e+12, b: -0.34545, Ea: 4.214e+04} - equation: IC4H6OOH-I <=> C3H4-A + CH2O2H # Reaction 1510 rate-constant: {A: 1.18e+12, b: 0.91203, Ea: 5.139e+04} - equation: IC4H6OOH-I <=> IC3H5CHO + OH # Reaction 1511 rate-constant: {A: 2.42e+09, b: 0.8739, Ea: 5.409e+04} - equation: CCYCCOOC-T1 <=> CCYC2OCO # Reaction 1512 rate-constant: {A: 4.56e+11, b: 0.92729, Ea: 1.747e+04} - equation: CCYCCOOC-T1 <=> CCYCCOOC-I2 # Reaction 1513 rate-constant: {A: 3.56e+13, b: 0.0, Ea: 3.882e+04} - equation: CCYCCOOC-I2 <=> CHOIC3H6O # Reaction 1514 rate-constant: {A: 3.19e+14, b: 0.0, Ea: 3000.0} - equation: C2CYCOOC-I1 <=> IC3H5OOCH2 # Reaction 1515 rate-constant: {A: 4.41e+13, b: -0.22618, Ea: 1.85e+04} - equation: IC3H5OOCH2 <=> CH3COCH2 + CH2O # Reaction 1516 rate-constant: {A: 1.41e+10, b: 0.0, Ea: 1000.0} - equation: CHOIC3H6O <=> CH3CHCHO + CH2O # Reaction 1517 rate-constant: {A: 4.3e+12, b: 0.0, Ea: 9780.0} - equation: CCYC2OCO <=> CCYCCO-T1 + CH2O # Reaction 1518 rate-constant: {A: 1.74e+13, b: 0.0, Ea: 1.815e+04} - equation: C2CYCOOC-I1 <=> CCYC2OCO # Reaction 1519 rate-constant: {A: 1.21e+13, b: 0.1018, Ea: 2.032e+04} - equation: IC4H7O2 + IC4H7O2 => IC4H7O + IC4H7O + O2 # Reaction 1520 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: IC4H7O2 + IC4H8 <=> IC4H7 + IC4H7OOH # Reaction 1521 rate-constant: {A: 0.146, b: 4.12, Ea: 1.2802e+04} - equation: IC4H8 + H <=> IC4H9 # Reaction 1522 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 7.99e+81, b: -23.161, Ea: 2.2239e+04} - {P: 0.04 atm, A: 4.24e+68, b: -18.427, Ea: 1.9665e+04} - {P: 1.0 atm, A: 1.04e+49, b: -11.5, Ea: 1.5359e+04} - {P: 10.0 atm, A: 6.2e+41, b: -8.892, Ea: 1.4637e+04} - equation: IC4H8 + H <=> IC4H9 # Reaction 1523 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.85e+26, b: -5.83, Ea: 3865.8} - {P: 0.04 atm, A: 2.82e+30, b: -6.49, Ea: 5470.8} - {P: 1.0 atm, A: 3.78e+28, b: -5.57, Ea: 5625.1} - {P: 10.0 atm, A: 1.46e+25, b: -4.28, Ea: 5247.8} - {P: 100.0 atm, A: 4.22e+27, b: -4.39, Ea: 9345.8} - equation: IC4H8 + H <=> TC4H9 # Reaction 1524 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 1.35e+44, b: -10.68, Ea: 8196.4} - {P: 0.04 atm, A: 2.11e+57, b: -14.23, Ea: 1.5147e+04} - {P: 1.0 atm, A: 3.26e+61, b: -14.94, Ea: 2.0161e+04} - {P: 10.0 atm, A: 5.3e+56, b: -13.12, Ea: 2.0667e+04} - {P: 100.0 atm, A: 1.11e+50, b: -10.8, Ea: 2.0202e+04} - equation: IC4H8 + H <=> TC4H9 # Reaction 1525 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 2.17e+130, b: -32.58, Ea: 1.3614e+05} - {P: 0.04 atm, A: 2.25e+29, b: -5.84, Ea: 4241.9} - {P: 1.0 atm, A: 1.06e+30, b: -5.63, Ea: 5613.4} - {P: 10.0 atm, A: 6.11e+26, b: -4.44, Ea: 5182.3} - {P: 100.0 atm, A: 2.73e+23, b: -3.26, Ea: 4597.0} - equation: IC4H8 + H <=> C3H6 + CH3 # Reaction 1526 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 5.13e+08, b: 1.35, Ea: 2542.0} - {P: 0.04 atm, A: 2.63e+10, b: 0.87, Ea: 3599.6} - {P: 1.0 atm, A: 8.9e+11, b: 0.47, Ea: 5431.1} - {P: 10.0 atm, A: 3.08e+22, b: -2.6, Ea: 1.2898e+04} - {P: 100.0 atm, A: 4.4e+22, b: -2.42, Ea: 1.65e+04} - equation: IC4H8 + H <=> C3H6 + CH3 # Reaction 1527 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 770.0, b: 1.35, Ea: 2542.0} - {P: 0.04 atm, A: 3.94e+04, b: 0.87, Ea: 3599.6} - {P: 1.0 atm, A: 1.34e+06, b: 0.47, Ea: 5431.1} - {P: 10.0 atm, A: 4.13e+04, b: 2.52, Ea: 3679.1} - {P: 100.0 atm, A: 837.0, b: 2.91, Ea: 3980.9} - equation: IC4H8 + HO2 <=> TC4H9O2 # Reaction 1528 rate-constant: {A: 0.104, b: 3.45, Ea: 4338.0} - equation: IC4H8 + HO2 <=> IC4H8O2H-T # Reaction 1529 rate-constant: {A: 1.64e+04, b: 2.43, Ea: 8300.0} - equation: IC4H8 + HO2 <=> TC4H8O2H-I # Reaction 1530 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 6.67e+14, b: -2.14, Ea: 1.4188e+04} - {P: 0.9869 atm, A: 6.25e+06, b: 0.64, Ea: 9073.0} - {P: 9.869 atm, A: 7.96e+06, b: 0.82, Ea: 8771.0} - {P: 98.69 atm, A: 2.05e+13, b: -0.82, Ea: 1.2919e+04} - equation: IC4H8 + HO2 <=> IC4H8O + OH # Reaction 1531 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 1.18e+04, b: 2.29, Ea: 1.1321e+04} - {P: 0.9869 atm, A: 5.3e+04, b: 2.1, Ea: 1.1797e+04} - {P: 9.869 atm, A: 1.47e+09, b: 0.83, Ea: 1.4808e+04} - {P: 98.69 atm, A: 1.96e+17, b: -1.45, Ea: 2.1195e+04} - equation: TC4H8O2H-I <=> IC4H8O + OH # Reaction 1532 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.013 atm, A: 5.23e+17, b: -2.97, Ea: 8215.0} - {P: 0.9869 atm, A: 4.39e+22, b: -3.9, Ea: 1.1424e+04} - {P: 9.869 atm, A: 4.0e+25, b: -4.5, Ea: 1.3952e+04} - {P: 98.69 atm, A: 1.21e+27, b: -4.66, Ea: 1.6324e+04} - equation: IC4H8 + O <=> IC3H7 + HCO # Reaction 1533 rate-constant: {A: 7.45e+06, b: 1.88, Ea: 183.0} - equation: IC4H8 + O => CH2CO + CH3 + CH3 # Reaction 1534 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: IC4H8 + O => IC3H6CO + H + H # Reaction 1535 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: IC4H8 + OH <=> IC4H7OH + H # Reaction 1536 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 2.67e+13, b: 0.05, Ea: 1.0611e+04} - {P: 0.01 atm, A: 2.75e+13, b: 0.05, Ea: 1.0623e+04} - {P: 0.013 atm, A: 2.87e+13, b: 0.04, Ea: 1.0634e+04} - {P: 0.025 atm, A: 1.59e+14, b: -0.16, Ea: 1.1125e+04} - {P: 0.1 atm, A: 3.1e+14, b: -0.22, Ea: 1.1407e+04} - {P: 0.1315 atm, A: 3.78e+14, b: -0.24, Ea: 1.1458e+04} - {P: 1.0 atm, A: 9.15e+07, b: 1.42, Ea: 1.0087e+04} - {P: 10.0 atm, A: 3.66e+05, b: 2.14, Ea: 1.041e+04} - {P: 100.0 atm, A: 819.0, b: 2.84, Ea: 1.0481e+04} - equation: IC4H8 + OH <=> SC3H5OH + CH3 # Reaction 1537 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 5.16e+05, b: 1.65, Ea: 1233.0} - {P: 0.01 atm, A: 7280.0, b: 2.1, Ea: 1162.0} - {P: 0.013 atm, A: 816.0, b: 2.48, Ea: 1128.0} - {P: 0.025 atm, A: 115.0, b: 2.8, Ea: 1152.0} - {P: 0.1 atm, A: 5.6, b: 3.21, Ea: 1208.0} - {P: 0.1315 atm, A: 3.08, b: 3.29, Ea: 1216.0} - {P: 1.0 atm, A: 4520.0, b: 2.5, Ea: 3238.0} - {P: 10.0 atm, A: 9.64e+18, b: -1.74, Ea: 1.3107e+04} - {P: 100.0 atm, A: 0.132, b: 3.7, Ea: 3665.0} - equation: IC4H8 + OH <=> IC3H5OH + CH3 # Reaction 1538 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 2.06e+06, b: 1.65, Ea: 1233.0} - {P: 0.01 atm, A: 2.91e+04, b: 2.1, Ea: 1162.0} - {P: 0.013 atm, A: 3260.0, b: 2.48, Ea: 1128.0} - {P: 0.025 atm, A: 461.0, b: 2.8, Ea: 1152.0} - {P: 0.1 atm, A: 22.4, b: 3.21, Ea: 1208.0} - {P: 0.1315 atm, A: 12.3, b: 3.29, Ea: 1216.0} - {P: 1.0 atm, A: 1.81e+04, b: 2.5, Ea: 3238.0} - {P: 10.0 atm, A: 3.86e+19, b: -1.74, Ea: 1.3107e+04} - {P: 100.0 atm, A: 0.528, b: 3.7, Ea: 3665.0} - equation: IC4H8 + OH <=> SC4H7OH-I + H # Reaction 1539 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 2.87, b: 2.92, Ea: 625.0} - {P: 0.01 atm, A: 0.484, b: 2.98, Ea: 704.0} - {P: 0.013 atm, A: 0.313, b: 3.04, Ea: 721.0} - {P: 0.025 atm, A: 9.33e-03, b: 3.62, Ea: 677.0} - {P: 0.1 atm, A: 4.64e-05, b: 4.48, Ea: 687.0} - {P: 0.1315 atm, A: 2.71e-05, b: 4.56, Ea: 707.0} - {P: 1.0 atm, A: 7.65e-07, b: 5.05, Ea: 874.0} - {P: 10.0 atm, A: 2.64e+15, b: -0.8, Ea: 1.2728e+04} - {P: 100.0 atm, A: 4.87e-04, b: 4.32, Ea: 4020.0} - equation: IC4H8 + OH <=> CH3COCH3 + CH3 # Reaction 1540 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.3e-03 atm, A: 6.93e+05, b: 1.49, Ea: -536.0} - {P: 0.01 atm, A: 5940.0, b: 2.01, Ea: -560.0} - {P: 0.013 atm, A: 1100.0, b: 2.22, Ea: -680.0} - {P: 0.025 atm, A: 107.0, b: 2.5, Ea: -759.0} - {P: 0.1 atm, A: 0.783, b: 3.1, Ea: -919.0} - {P: 0.1315 atm, A: 0.307, b: 3.22, Ea: -946.0} - {P: 1.0 atm, A: 3.16e-04, b: 4.05, Ea: -1144.0} - {P: 10.0 atm, A: 7.59e-06, b: 4.49, Ea: -680.0} - {P: 100.0 atm, A: 5.45e-05, b: 4.22, Ea: 1141.0} - equation: IC4H8 + OH <=> IC4H8OH-IT # Reaction 1541 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 2.3e+78, b: -20.7, Ea: 3.2402e+04} - {P: 0.01 atm, A: 2.74e+77, b: -20.0, Ea: 3.3874e+04} - {P: 0.013 atm, A: 1.07e+76, b: -19.58, Ea: 3.2874e+04} - {P: 0.025 atm, A: 3.68e+73, b: -18.79, Ea: 3.1361e+04} - {P: 0.1 atm, A: 1.04e+68, b: -17.01, Ea: 2.7909e+04} - {P: 0.1315 atm, A: 7.23e+66, b: -16.64, Ea: 2.7162e+04} - {P: 1.0 atm, A: 1.95e+59, b: -14.17, Ea: 2.3079e+04} - {P: 10.0 atm, A: 7.58e+53, b: -12.23, Ea: 2.2976e+04} - {P: 100.0 atm, A: 1.43e+48, b: -10.23, Ea: 2.3772e+04} - equation: IC4H8 + OH <=> IC4H8OH-IT # Reaction 1542 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 6.41e+59, b: -15.84, Ea: 1.1594e+04} - {P: 0.01 atm, A: 7.28e+59, b: -15.51, Ea: 1.2898e+04} - {P: 0.013 atm, A: 2.79e+59, b: -15.34, Ea: 1.2913e+04} - {P: 0.025 atm, A: 2.65e+58, b: -14.93, Ea: 1.2936e+04} - {P: 0.1 atm, A: 1.35e+56, b: -14.04, Ea: 1.2945e+04} - {P: 0.1315 atm, A: 3.98e+55, b: -13.85, Ea: 1.2887e+04} - {P: 1.0 atm, A: 1.55e+50, b: -12.04, Ea: 1.1493e+04} - {P: 10.0 atm, A: 6.41e+41, b: -9.35, Ea: 8921.0} - {P: 100.0 atm, A: 2.3e+32, b: -6.31, Ea: 6088.0} - equation: IC4H8 + OH <=> IC4H8OH-TI # Reaction 1543 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 2.14e+59, b: -15.84, Ea: 1.1594e+04} - {P: 0.01 atm, A: 2.43e+59, b: -15.51, Ea: 1.2898e+04} - {P: 0.013 atm, A: 9.3e+58, b: -15.34, Ea: 1.2913e+04} - {P: 0.025 atm, A: 8.83e+57, b: -14.93, Ea: 1.2936e+04} - {P: 0.1 atm, A: 4.5e+55, b: -14.04, Ea: 1.2945e+04} - {P: 0.1315 atm, A: 1.33e+55, b: -13.85, Ea: 1.2887e+04} - {P: 1.0 atm, A: 5.18e+49, b: -12.04, Ea: 1.1493e+04} - {P: 10.0 atm, A: 2.14e+41, b: -9.35, Ea: 8921.0} - {P: 100.0 atm, A: 7.65e+31, b: -6.31, Ea: 6088.0} - equation: IC4H8 + OH <=> IC4H8OH-TI # Reaction 1544 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.3e-03 atm, A: 7.68e+77, b: -20.7, Ea: 3.2402e+04} - {P: 0.01 atm, A: 9.13e+76, b: -20.0, Ea: 3.3874e+04} - {P: 0.013 atm, A: 3.55e+75, b: -19.58, Ea: 3.2874e+04} - {P: 0.025 atm, A: 1.23e+73, b: -18.79, Ea: 3.1361e+04} - {P: 0.1 atm, A: 3.45e+67, b: -17.01, Ea: 2.7909e+04} - {P: 0.1315 atm, A: 2.41e+66, b: -16.64, Ea: 2.7162e+04} - {P: 1.0 atm, A: 6.5e+58, b: -14.17, Ea: 2.3079e+04} - {P: 10.0 atm, A: 2.53e+53, b: -12.23, Ea: 2.2976e+04} - {P: 100.0 atm, A: 4.78e+47, b: -10.23, Ea: 2.3772e+04} - equation: IC4H8OH-IT + O2 <=> TQJC4H8OH # Reaction 1545 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.05e+114, b: -33.81, Ea: 2.4741e+04} - {P: 0.01 atm, A: 2.13e+114, b: -33.44, Ea: 2.6448e+04} - {P: 0.1 atm, A: 1.62e+110, b: -31.75, Ea: 2.6612e+04} - {P: 1.0 atm, A: 6.0e+101, b: -28.79, Ea: 2.5197e+04} - {P: 10.0 atm, A: 5.36e+89, b: -24.76, Ea: 2.2402e+04} - {P: 40.0 atm, A: 1.55e+81, b: -21.95, Ea: 2.0197e+04} - {P: 100.0 atm, A: 1.51e+75, b: -20.0, Ea: 1.8578e+04} - {P: 200.0 atm, A: 3.16e+70, b: -18.48, Ea: 1.7287e+04} - equation: IC4H8OH-IT + O2 <=> IC4H7OH + HO2 # Reaction 1546 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.21e+26, b: -5.09, Ea: 5755.0} - {P: 0.01 atm, A: 1.41e+31, b: -6.55, Ea: 8781.0} - {P: 0.1 atm, A: 5.08e+34, b: -7.53, Ea: 1.1702e+04} - {P: 1.0 atm, A: 1.67e+34, b: -7.27, Ea: 1.3418e+04} - {P: 10.0 atm, A: 2.82e+28, b: -5.41, Ea: 1.3318e+04} - {P: 40.0 atm, A: 2.5e+22, b: -3.52, Ea: 1.2314e+04} - {P: 100.0 atm, A: 2.82e+17, b: -1.99, Ea: 1.1286e+04} - {P: 200.0 atm, A: 1.93e+13, b: -0.71, Ea: 1.034e+04} - equation: IC4H8OH-IT + O2 <=> IC4H7OH + HO2 # Reaction 1547 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 2.45e+21, b: -4.19, Ea: 6837.0} - {P: 0.01 atm, A: 1.4e+30, b: -6.75, Ea: 1.1554e+04} - {P: 0.1 atm, A: 9.11e+39, b: -9.56, Ea: 1.7834e+04} - {P: 1.0 atm, A: 5.16e+42, b: -10.17, Ea: 2.2412e+04} - {P: 10.0 atm, A: 6.07e+32, b: -6.94, Ea: 2.2738e+04} - {P: 40.0 atm, A: 3.88e+20, b: -3.14, Ea: 2.0677e+04} - {P: 100.0 atm, A: 3.32e+10, b: -0.03, Ea: 1.8552e+04} - {P: 200.0 atm, A: 122.0, b: 2.57, Ea: 1.6623e+04} - equation: IC4H8OH-IT + O2 <=> SC4H7OH-I + HO2 # Reaction 1548 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.26e+25, b: -4.69, Ea: 5755.0} - {P: 0.01 atm, A: 1.44e+30, b: -6.15, Ea: 8785.0} - {P: 0.1 atm, A: 4.78e+33, b: -7.11, Ea: 1.1695e+04} - {P: 1.0 atm, A: 1.4e+33, b: -6.84, Ea: 1.3395e+04} - {P: 10.0 atm, A: 2.12e+27, b: -4.96, Ea: 1.3277e+04} - {P: 40.0 atm, A: 1.78e+21, b: -3.07, Ea: 1.2265e+04} - {P: 100.0 atm, A: 1.97e+16, b: -1.53, Ea: 1.1234e+04} - {P: 200.0 atm, A: 1.32e+12, b: -0.25, Ea: 1.0285e+04} - equation: IC4H8OH-IT + O2 <=> SC4H7OH-I + HO2 # Reaction 1549 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 3.22e+23, b: -4.69, Ea: 5341.0} - {P: 0.01 atm, A: 4.8e+28, b: -6.18, Ea: 8461.0} - {P: 0.1 atm, A: 1.71e+32, b: -7.16, Ea: 1.141e+04} - {P: 1.0 atm, A: 1.53e+32, b: -7.02, Ea: 1.3378e+04} - {P: 10.0 atm, A: 5.55e+29, b: -6.14, Ea: 1.51e+04} - {P: 40.0 atm, A: 1.72e+26, b: -4.97, Ea: 1.5849e+04} - {P: 100.0 atm, A: 4.46e+21, b: -3.51, Ea: 1.5644e+04} - {P: 200.0 atm, A: 5.06e+16, b: -1.96, Ea: 1.4979e+04} - equation: IC4H8OH-IT + O2 <=> TQC4H8OI # Reaction 1550 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.36e+104, b: -33.74, Ea: 2.239e+04} - {P: 0.01 atm, A: 7.96e+103, b: -33.01, Ea: 2.2966e+04} - {P: 0.1 atm, A: 6.99e+96, b: -30.48, Ea: 2.0584e+04} - {P: 1.0 atm, A: 1.04e+88, b: -27.47, Ea: 1.6629e+04} - {P: 10.0 atm, A: 3.13e+96, b: -29.62, Ea: 2.0346e+04} - {P: 40.0 atm, A: 2.79e+105, b: -32.04, Ea: 2.4971e+04} - {P: 100.0 atm, A: 4.64e+109, b: -33.12, Ea: 2.7657e+04} - {P: 200.0 atm, A: 2.06e+111, b: -33.48, Ea: 2.9197e+04} - equation: IC4H8OH-IT + O2 => CH3COCH3 + CH2O + OH # Reaction 1551 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.03e+37, b: -8.35, Ea: 6940.0} - {P: 0.01 atm, A: 1.07e+42, b: -9.64, Ea: 9965.0} - {P: 0.1 atm, A: 9.22e+43, b: -10.12, Ea: 1.2427e+04} - {P: 1.0 atm, A: 1.14e+42, b: -9.42, Ea: 1.3806e+04} - {P: 10.0 atm, A: 1.8e+38, b: -8.13, Ea: 1.5131e+04} - {P: 40.0 atm, A: 1.61e+34, b: -6.8, Ea: 1.5691e+04} - {P: 100.0 atm, A: 7.0e+29, b: -5.41, Ea: 1.5552e+04} - {P: 200.0 atm, A: 3.74e+25, b: -4.06, Ea: 1.5118e+04} - equation: IC4H8OH-IT + O2 <=> QC4H7OHP # Reaction 1552 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.18e+118, b: -37.6, Ea: 2.6229e+04} - {P: 0.01 atm, A: 1.91e+131, b: -40.73, Ea: 3.4079e+04} - {P: 0.1 atm, A: 5.81e+138, b: -42.17, Ea: 4.075e+04} - {P: 1.0 atm, A: 5.05e+134, b: -40.19, Ea: 4.358e+04} - {P: 10.0 atm, A: 2.07e+117, b: -34.26, Ea: 4.1516e+04} - {P: 40.0 atm, A: 1.71e+101, b: -29.04, Ea: 3.8094e+04} - {P: 100.0 atm, A: 1.25e+89, b: -25.15, Ea: 3.5203e+04} - {P: 200.0 atm, A: 2.98e+79, b: -22.09, Ea: 3.2802e+04} - equation: IC4H8OH-IT + O2 <=> CCY(CCO)COH + OH # Reaction 1553 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.11e+18, b: -2.87, Ea: 6870.0} - {P: 0.01 atm, A: 3.02e+27, b: -5.54, Ea: 1.1842e+04} - {P: 0.1 atm, A: 1.36e+37, b: -8.29, Ea: 1.8165e+04} - {P: 1.0 atm, A: 1.21e+39, b: -8.66, Ea: 2.2517e+04} - {P: 10.0 atm, A: 1.53e+28, b: -5.13, Ea: 2.253e+04} - {P: 40.0 atm, A: 2.72e+15, b: -1.16, Ea: 2.0283e+04} - {P: 100.0 atm, A: 1.06e+05, b: 2.06, Ea: 1.8044e+04} - {P: 200.0 atm, A: 2.3e-04, b: 4.73, Ea: 1.6037e+04} - equation: IC4H8OH-IT + O2 <=> TQC4H7OHI # Reaction 1554 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.76e+53, b: -19.87, Ea: 9019.0} - {P: 0.01 atm, A: 4.68e+67, b: -23.92, Ea: 1.1892e+04} - {P: 0.1 atm, A: 2.07e+91, b: -30.58, Ea: 1.7347e+04} - {P: 1.0 atm, A: 2.84e+100, b: -32.4, Ea: 2.0041e+04} - {P: 10.0 atm, A: 1.16e+115, b: -35.81, Ea: 2.7656e+04} - {P: 40.0 atm, A: 4.87e+123, b: -37.83, Ea: 3.3314e+04} - {P: 100.0 atm, A: 7.95e+124, b: -37.82, Ea: 3.5683e+04} - {P: 200.0 atm, A: 4.58e+122, b: -36.86, Ea: 3.6374e+04} - equation: IC4H8OH-IT + O2 <=> C2CY(COC)OH + OH # Reaction 1555 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.42e+32, b: -6.95, Ea: 6210.0} - {P: 0.01 atm, A: 5.19e+36, b: -8.24, Ea: 9233.0} - {P: 0.1 atm, A: 5.77e+38, b: -8.76, Ea: 1.1715e+04} - {P: 1.0 atm, A: 2.86e+36, b: -7.95, Ea: 1.2823e+04} - {P: 10.0 atm, A: 1.37e+32, b: -6.51, Ea: 1.3646e+04} - {P: 40.0 atm, A: 2.15e+29, b: -5.56, Ea: 1.4541e+04} - {P: 100.0 atm, A: 1.2e+26, b: -4.51, Ea: 1.4778e+04} - {P: 200.0 atm, A: 3.31e+22, b: -3.37, Ea: 1.4606e+04} - equation: TQJC4H8OH <=> IC4H7OH + HO2 # Reaction 1556 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 9.73e+65, b: -18.5, Ea: 4.2975e+04} - {P: 0.01 atm, A: 1.04e+64, b: -17.25, Ea: 4.4419e+04} - {P: 0.1 atm, A: 7.9e+59, b: -15.59, Ea: 4.4504e+04} - {P: 1.0 atm, A: 9.35e+53, b: -13.49, Ea: 4.3566e+04} - {P: 10.0 atm, A: 4.13e+44, b: -10.39, Ea: 4.1279e+04} - {P: 40.0 atm, A: 6.57e+38, b: -8.49, Ea: 3.9745e+04} - {P: 100.0 atm, A: 8.32e+34, b: -7.23, Ea: 3.8675e+04} - {P: 200.0 atm, A: 9.46e+31, b: -6.28, Ea: 3.7849e+04} - equation: TQJC4H8OH <=> IC4H7OH + HO2 # Reaction 1557 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 5.27e+64, b: -18.0, Ea: 4.2872e+04} - {P: 0.01 atm, A: 4.82e+62, b: -16.74, Ea: 4.4284e+04} - {P: 0.1 atm, A: 3.42e+58, b: -15.07, Ea: 4.4348e+04} - {P: 1.0 atm, A: 4.05e+52, b: -12.97, Ea: 4.3402e+04} - {P: 10.0 atm, A: 1.93e+43, b: -9.88, Ea: 4.112e+04} - {P: 40.0 atm, A: 3.28e+37, b: -7.99, Ea: 3.9593e+04} - {P: 100.0 atm, A: 4.35e+33, b: -6.74, Ea: 3.8527e+04} - {P: 200.0 atm, A: 5.13e+30, b: -5.79, Ea: 3.7706e+04} - equation: TQJC4H8OH <=> TQC4H8OI # Reaction 1558 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.78e+50, b: -12.91, Ea: 3.1539e+04} - {P: 0.01 atm, A: 1.42e+45, b: -10.94, Ea: 3.0864e+04} - {P: 0.1 atm, A: 1.5e+40, b: -9.21, Ea: 2.9932e+04} - {P: 1.0 atm, A: 3.12e+35, b: -7.64, Ea: 2.8864e+04} - {P: 10.0 atm, A: 2.73e+29, b: -5.67, Ea: 2.7243e+04} - {P: 40.0 atm, A: 8.88e+25, b: -4.54, Ea: 2.6272e+04} - {P: 100.0 atm, A: 4.6e+23, b: -3.8, Ea: 2.5622e+04} - {P: 200.0 atm, A: 9.08e+21, b: -3.25, Ea: 2.5131e+04} - equation: TQJC4H8OH <=> QC4H7OHP # Reaction 1559 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 9.16e+62, b: -18.02, Ea: 4.5297e+04} - {P: 0.01 atm, A: 2.56e+62, b: -17.1, Ea: 4.7393e+04} - {P: 0.1 atm, A: 1.25e+59, b: -15.61, Ea: 4.7984e+04} - {P: 1.0 atm, A: 1.97e+53, b: -13.49, Ea: 4.7281e+04} - {P: 10.0 atm, A: 1.91e+43, b: -10.15, Ea: 4.4926e+04} - {P: 40.0 atm, A: 7.68e+36, b: -8.05, Ea: 4.3267e+04} - {P: 100.0 atm, A: 3.49e+32, b: -6.64, Ea: 4.2089e+04} - {P: 200.0 atm, A: 1.77e+29, b: -5.57, Ea: 4.1173e+04} - equation: TQJC4H8OH <=> TQC4H7OHI # Reaction 1560 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 9.57e+58, b: -15.99, Ea: 3.8293e+04} - {P: 0.01 atm, A: 7.27e+54, b: -14.25, Ea: 3.8593e+04} - {P: 0.1 atm, A: 8.3e+49, b: -12.44, Ea: 3.8031e+04} - {P: 1.0 atm, A: 1.9e+44, b: -10.51, Ea: 3.6905e+04} - {P: 10.0 atm, A: 2.18e+36, b: -7.9, Ea: 3.4865e+04} - {P: 40.0 atm, A: 4.1e+31, b: -6.36, Ea: 3.3581e+04} - {P: 100.0 atm, A: 3.0e+28, b: -5.35, Ea: 3.2704e+04} - {P: 200.0 atm, A: 1.34e+26, b: -4.59, Ea: 3.2035e+04} - equation: TQC4H8OI => CH3COCH3 + CH2O + OH # Reaction 1561 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.09e+38, b: -9.91, Ea: 1.9096e+04} - {P: 0.01 atm, A: 9.09e+39, b: -9.93, Ea: 1.9135e+04} - {P: 0.1 atm, A: 1.89e+41, b: -10.02, Ea: 1.9407e+04} - {P: 1.0 atm, A: 7.47e+23, b: -4.1, Ea: 1.4658e+04} - {P: 10.0 atm, A: 2.95e+33, b: -6.75, Ea: 1.8685e+04} - {P: 40.0 atm, A: 4.24e+36, b: -7.56, Ea: 2.0307e+04} - {P: 100.0 atm, A: 7.83e+36, b: -7.54, Ea: 2.0747e+04} - {P: 200.0 atm, A: 7.63e+35, b: -7.17, Ea: 2.0641e+04} - equation: QC4H7OHP <=> IC4H7OH + HO2 # Reaction 1562 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.29e+57, b: -15.64, Ea: 2.8576e+04} - {P: 0.01 atm, A: 9.65e+58, b: -15.75, Ea: 2.9927e+04} - {P: 0.1 atm, A: 2.19e+50, b: -12.66, Ea: 2.8547e+04} - {P: 1.0 atm, A: 1.67e+49, b: -12.05, Ea: 2.9204e+04} - {P: 10.0 atm, A: 7.08e+40, b: -9.26, Ea: 2.7188e+04} - {P: 40.0 atm, A: 1.32e+30, b: -5.82, Ea: 2.4071e+04} - {P: 100.0 atm, A: 1.15e+30, b: -5.8, Ea: 2.4053e+04} - {P: 200.0 atm, A: 1.12e+30, b: -5.8, Ea: 2.405e+04} - equation: QC4H7OHP <=> CCY(CCO)COH + OH # Reaction 1563 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.11e+51, b: -12.97, Ea: 2.8497e+04} - {P: 0.01 atm, A: 5.58e+51, b: -12.87, Ea: 2.9529e+04} - {P: 0.1 atm, A: 3.03e+44, b: -10.28, Ea: 2.8326e+04} - {P: 1.0 atm, A: 1.42e+44, b: -9.98, Ea: 2.8986e+04} - {P: 10.0 atm, A: 9.69e+37, b: -7.93, Ea: 2.7491e+04} - {P: 40.0 atm, A: 5.9e+29, b: -5.3, Ea: 2.5095e+04} - {P: 100.0 atm, A: 5.27e+29, b: -5.29, Ea: 2.5081e+04} - {P: 200.0 atm, A: 5.15e+29, b: -5.28, Ea: 2.5078e+04} - equation: TQC4H7OHI <=> C2CY(COC)OH + OH # Reaction 1564 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.1e+31, b: -7.21, Ea: 1.464e+04} - {P: 0.01 atm, A: 1.37e+32, b: -7.24, Ea: 1.4716e+04} - {P: 0.1 atm, A: 3.34e+33, b: -7.35, Ea: 1.5127e+04} - {P: 1.0 atm, A: 1.86e+23, b: -3.68, Ea: 1.2864e+04} - {P: 10.0 atm, A: 9.88e+31, b: -6.23, Ea: 1.604e+04} - {P: 40.0 atm, A: 1.25e+34, b: -6.78, Ea: 1.7056e+04} - {P: 100.0 atm, A: 7.73e+33, b: -6.67, Ea: 1.7176e+04} - {P: 200.0 atm, A: 2.13e+33, b: -6.45, Ea: 1.717e+04} - equation: TQC4H7OHI <=> SC4H7OH-I + HO2 # Reaction 1565 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.01e+27, b: -7.27, Ea: 1.4658e+04} - {P: 0.01 atm, A: 7.78e+28, b: -7.3, Ea: 1.4733e+04} - {P: 0.1 atm, A: 3.27e+30, b: -7.48, Ea: 1.5191e+04} - {P: 1.0 atm, A: 2.81e+17, b: -2.82, Ea: 1.2336e+04} - {P: 10.0 atm, A: 1.92e+26, b: -5.22, Ea: 1.6146e+04} - {P: 40.0 atm, A: 7.61e+27, b: -5.49, Ea: 1.7483e+04} - {P: 100.0 atm, A: 1.91e+26, b: -4.86, Ea: 1.7429e+04} - {P: 200.0 atm, A: 2.94e+24, b: -4.18, Ea: 1.7285e+04} - equation: IC4H8OH-TI + O2 <=> IQJC4H8OH # Reaction 1566 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.34e+111, b: -32.67, Ea: 2.5143e+04} - {P: 0.01 atm, A: 4.84e+107, b: -31.05, Ea: 2.546e+04} - {P: 0.1 atm, A: 2.41e+100, b: -28.42, Ea: 2.4474e+04} - {P: 1.0 atm, A: 4.55e+89, b: -24.78, Ea: 2.2176e+04} - {P: 10.0 atm, A: 1.14e+76, b: -20.31, Ea: 1.8721e+04} - {P: 40.0 atm, A: 9.25e+66, b: -17.35, Ea: 1.6238e+04} - {P: 100.0 atm, A: 6.2e+60, b: -15.36, Ea: 1.4499e+04} - {P: 200.0 atm, A: 1.3e+56, b: -13.86, Ea: 1.3159e+04} - equation: IC4H8OH-TI + O2 <=> IC3H6OHCHO + OH # Reaction 1567 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.59e+15, b: -1.63, Ea: 8947.0} - {P: 0.01 atm, A: 5.07e+20, b: -3.24, Ea: 1.1938e+04} - {P: 0.1 atm, A: 5.0e+25, b: -4.66, Ea: 1.5251e+04} - {P: 1.0 atm, A: 3.18e+26, b: -4.79, Ea: 1.7388e+04} - {P: 10.0 atm, A: 6.0e+20, b: -2.95, Ea: 1.7297e+04} - {P: 40.0 atm, A: 1.7e+14, b: -0.91, Ea: 1.6099e+04} - {P: 100.0 atm, A: 7.91e+08, b: 0.73, Ea: 1.4913e+04} - {P: 200.0 atm, A: 3.03e+04, b: 2.08, Ea: 1.3854e+04} - equation: IC4H8OH-TI + O2 <=> IQC4H8OT # Reaction 1568 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.12e+102, b: -32.4, Ea: 2.3496e+04} - {P: 0.01 atm, A: 4.23e+95, b: -30.04, Ea: 2.2067e+04} - {P: 0.1 atm, A: 3.45e+83, b: -26.08, Ea: 1.7114e+04} - {P: 1.0 atm, A: 8.16e+82, b: -25.61, Ea: 1.6198e+04} - {P: 10.0 atm, A: 1.04e+97, b: -29.54, Ea: 2.2648e+04} - {P: 40.0 atm, A: 7.25e+103, b: -31.42, Ea: 2.6487e+04} - {P: 100.0 atm, A: 2.48e+106, b: -32.06, Ea: 2.8397e+04} - {P: 200.0 atm, A: 1.39e+107, b: -32.2, Ea: 2.9446e+04} - equation: IC4H8OH-TI + O2 => CH3COCH3 + CH2O + OH # Reaction 1569 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 4.39e+48, b: -11.88, Ea: 1.1603e+04} - {P: 0.01 atm, A: 9.82e+50, b: -12.49, Ea: 1.4143e+04} - {P: 0.1 atm, A: 3.43e+49, b: -11.94, Ea: 1.5561e+04} - {P: 1.0 atm, A: 2.43e+45, b: -10.56, Ea: 1.6415e+04} - {P: 10.0 atm, A: 4.98e+39, b: -8.68, Ea: 1.7473e+04} - {P: 40.0 atm, A: 7.99e+33, b: -6.83, Ea: 1.7502e+04} - {P: 100.0 atm, A: 1.02e+29, b: -5.28, Ea: 1.7165e+04} - {P: 200.0 atm, A: 7.18e+24, b: -3.99, Ea: 1.6747e+04} - equation: IC4H8OH-TI + O2 <=> CH3 + C3KET21 # Reaction 1570 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.91e+40, b: -9.23, Ea: 1.083e+04} - {P: 0.01 atm, A: 9.66e+43, b: -10.2, Ea: 1.3698e+04} - {P: 0.1 atm, A: 1.34e+44, b: -10.13, Ea: 1.5661e+04} - {P: 1.0 atm, A: 2.57e+41, b: -9.18, Ea: 1.7047e+04} - {P: 10.0 atm, A: 1.82e+36, b: -7.46, Ea: 1.833e+04} - {P: 40.0 atm, A: 8.82e+29, b: -5.44, Ea: 1.8205e+04} - {P: 100.0 atm, A: 1.74e+24, b: -3.65, Ea: 1.76e+04} - {P: 200.0 atm, A: 2.16e+19, b: -2.12, Ea: 1.6925e+04} - equation: IC4H8OH-TI + O2 <=> IQC4H7OHT # Reaction 1571 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.03e+115, b: -35.13, Ea: 2.5407e+04} - {P: 0.01 atm, A: 1.1e+129, b: -38.89, Ea: 3.2891e+04} - {P: 0.1 atm, A: 5.15e+135, b: -40.38, Ea: 3.8573e+04} - {P: 1.0 atm, A: 7.27e+129, b: -38.13, Ea: 3.9933e+04} - {P: 10.0 atm, A: 4.5e+112, b: -32.49, Ea: 3.7045e+04} - {P: 40.0 atm, A: 7.72e+97, b: -27.79, Ea: 3.3612e+04} - {P: 100.0 atm, A: 5.17e+86, b: -24.26, Ea: 3.0799e+04} - {P: 200.0 atm, A: 4.7e+77, b: -21.41, Ea: 2.844e+04} - equation: IC4H8OH-TI + O2 => IC3H5OH + CH2O + OH # Reaction 1572 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 5.1e+24, b: -4.31, Ea: 1.3009e+04} - {P: 0.01 atm, A: 6.91e+33, b: -6.97, Ea: 1.7935e+04} - {P: 0.1 atm, A: 1.74e+41, b: -9.03, Ea: 2.3613e+04} - {P: 1.0 atm, A: 2.26e+36, b: -7.32, Ea: 2.5633e+04} - {P: 10.0 atm, A: 3.15e+17, b: -1.4, Ea: 2.2782e+04} - {P: 40.0 atm, A: 9.35, b: 3.71, Ea: 1.9114e+04} - {P: 100.0 atm, A: 5.59e-12, b: 7.46, Ea: 1.6156e+04} - {P: 200.0 atm, A: 1.27e-21, b: 10.41, Ea: 1.3733e+04} - equation: IC4H8OH-TI + O2 <=> CCY(CCOC)OH + OH # Reaction 1573 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.06e+33, b: -7.24, Ea: 1.1476e+04} - {P: 0.01 atm, A: 6.56e+42, b: -9.92, Ea: 1.7197e+04} - {P: 0.1 atm, A: 8.24e+46, b: -10.95, Ea: 2.209e+04} - {P: 1.0 atm, A: 4.48e+38, b: -8.22, Ea: 2.3019e+04} - {P: 10.0 atm, A: 1.01e+18, b: -1.77, Ea: 1.9496e+04} - {P: 40.0 atm, A: 11.6, b: 3.44, Ea: 1.5637e+04} - {P: 100.0 atm, A: 4.85e-12, b: 7.23, Ea: 1.2599e+04} - {P: 200.0 atm, A: 8.64e-22, b: 10.21, Ea: 1.0126e+04} - equation: IQJC4H8OH <=> IC3H6OHCHO + OH # Reaction 1574 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.58e+71, b: -20.62, Ea: 5.2656e+04} - {P: 0.01 atm, A: 9.67e+71, b: -20.08, Ea: 5.4935e+04} - {P: 0.1 atm, A: 3.39e+67, b: -18.18, Ea: 5.533e+04} - {P: 1.0 atm, A: 7.26e+58, b: -15.09, Ea: 5.4016e+04} - {P: 10.0 atm, A: 4.57e+46, b: -11.01, Ea: 5.1172e+04} - {P: 40.0 atm, A: 4.31e+38, b: -8.38, Ea: 4.9054e+04} - {P: 100.0 atm, A: 2.12e+33, b: -6.66, Ea: 4.7587e+04} - {P: 200.0 atm, A: 2.72e+29, b: -5.41, Ea: 4.6486e+04} - equation: IQJC4H8OH <=> IQC4H8OT # Reaction 1575 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.04e+45, b: -11.2, Ea: 3.1755e+04} - {P: 0.01 atm, A: 2.9e+40, b: -9.62, Ea: 3.0945e+04} - {P: 0.1 atm, A: 4.85e+35, b: -8.01, Ea: 2.985e+04} - {P: 1.0 atm, A: 2.62e+30, b: -6.28, Ea: 2.8498e+04} - {P: 10.0 atm, A: 3.37e+24, b: -4.37, Ea: 2.6873e+04} - {P: 40.0 atm, A: 9.75e+20, b: -3.23, Ea: 2.5861e+04} - {P: 100.0 atm, A: 5.61e+18, b: -2.52, Ea: 2.5208e+04} - {P: 200.0 atm, A: 1.44e+17, b: -2.01, Ea: 2.474e+04} - equation: IQJC4H8OH <=> IQC4H7OHT # Reaction 1576 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.36e+50, b: -12.93, Ea: 3.6743e+04} - {P: 0.01 atm, A: 3.36e+45, b: -11.27, Ea: 3.6143e+04} - {P: 0.1 atm, A: 1.13e+40, b: -9.41, Ea: 3.499e+04} - {P: 1.0 atm, A: 5.93e+33, b: -7.33, Ea: 3.3438e+04} - {P: 10.0 atm, A: 4.24e+26, b: -5.0, Ea: 3.1502e+04} - {P: 40.0 atm, A: 1.97e+22, b: -3.61, Ea: 3.0275e+04} - {P: 100.0 atm, A: 3.43e+19, b: -2.72, Ea: 2.9477e+04} - {P: 200.0 atm, A: 3.69e+17, b: -2.09, Ea: 2.89e+04} - equation: IQC4H7OHT => IC3H5OH + CH2O + OH # Reaction 1577 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 4.25e+16, b: -3.66, Ea: 1.9364e+04} - {P: 0.01 atm, A: 2.98e+33, b: -8.01, Ea: 2.7106e+04} - {P: 0.1 atm, A: 3.46e+38, b: -8.83, Ea: 3.1412e+04} - {P: 1.0 atm, A: 7.07e+28, b: -5.46, Ea: 2.9633e+04} - {P: 10.0 atm, A: 2.01e+13, b: -0.43, Ea: 2.5278e+04} - {P: 40.0 atm, A: 1.43e+13, b: -0.38, Ea: 2.5238e+04} - {P: 100.0 atm, A: 1.38e+13, b: -0.38, Ea: 2.5234e+04} - {P: 200.0 atm, A: 1.37e+13, b: -0.37, Ea: 2.5233e+04} - equation: IQC4H7OHT <=> CCY(CCOC)OH + OH # Reaction 1578 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 1.12e+25, b: -5.59, Ea: 1.9349e+04} - {P: 0.01 atm, A: 7.2e+32, b: -7.6, Ea: 2.3093e+04} - {P: 0.1 atm, A: 2.22e+34, b: -7.65, Ea: 2.513e+04} - {P: 1.0 atm, A: 2.4e+27, b: -5.28, Ea: 2.3663e+04} - {P: 10.0 atm, A: 2.24e+17, b: -2.04, Ea: 2.081e+04} - {P: 40.0 atm, A: 1.82e+17, b: -2.01, Ea: 2.0786e+04} - {P: 100.0 atm, A: 1.78e+17, b: -2.01, Ea: 2.0783e+04} - {P: 200.0 atm, A: 1.77e+17, b: -2.01, Ea: 2.0782e+04} - equation: IQC4H7OHT <=> IC4H7OOH + OH # Reaction 1579 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.07e+13, b: -4.21, Ea: 2.2478e+04} - {P: 0.01 atm, A: 9.74e+39, b: -10.89, Ea: 3.3616e+04} - {P: 0.1 atm, A: 2.18e+49, b: -12.65, Ea: 4.0359e+04} - {P: 1.0 atm, A: 3.32e+37, b: -8.42, Ea: 3.8539e+04} - {P: 10.0 atm, A: 2.34e+16, b: -1.56, Ea: 3.2712e+04} - {P: 40.0 atm, A: 1.44e+16, b: -1.49, Ea: 3.2656e+04} - {P: 100.0 atm, A: 1.38e+16, b: -1.48, Ea: 3.2651e+04} - {P: 200.0 atm, A: 1.37e+16, b: -1.48, Ea: 3.2649e+04} - equation: IQC4H8OT => CH3COCH3 + CH2O + OH # Reaction 1580 rate-constant: {A: 3.64e+09, b: 1.3, Ea: 2.37e+04} - equation: IQC4H8OT <=> CH3 + C3KET21 # Reaction 1581 rate-constant: {A: 4.95e+10, b: 0.83, Ea: 2.79e+04} - equation: IQC4H7OHT <=> CH2COHCH2OOH + CH3 # Reaction 1582 rate-constant: {A: 4.95e+10, b: 0.83, Ea: 2.79e+04} - equation: TQC4H7OHIO2 <=> TQC4H7OHIQ-I # Reaction 1583 rate-constant: {A: 2.56e+12, b: -0.13, Ea: 3.436e+04} - equation: TQC4H7OHIQ-I => HO2CHO + CH3COCH3 + OH # Reaction 1584 rate-constant: {A: 5.819e+05, b: 2.4, Ea: 2.279e+04} - equation: TQC4H7OHIQ-I <=> IC4KETIT + HO2 # Reaction 1585 rate-constant: {A: 1.829e+10, b: 0.79, Ea: 1.51e+04} - equation: IC4KETIT => CH3COCH3 + HCO + OH # Reaction 1586 rate-constant: {A: 9.5e+15, b: 0.0, Ea: 4.254e+04} - equation: IC4KETIT + OH <=> TC3H6O2HCO + H2O # Reaction 1587 rate-constant: {A: 6.132995e+04, b: 2.65419, Ea: -4586.39996} - equation: IC4KETIT + HO2 <=> TC3H6O2HCO + H2O2 # Reaction 1588 rate-constant: {A: 1.1773e-04, b: 4.91966, Ea: 3684.27444} - equation: TC3H6O2HCO => CH3COCH3 + CO + OH # Reaction 1589 rate-constant: {A: 1.278e+20, b: -1.89, Ea: 3.446e+04} - equation: TQC4H7OHIO2 <=> TQC4H7OHIQ-P # Reaction 1590 rate-constant: {A: 5.69e+08, b: 0.78, Ea: 2.185e+04} - equation: TQC4H7OHIQ-P <=> IC3H5COHQ + HO2 # Reaction 1591 rate-constant: {A: 1.83e+10, b: 0.79, Ea: 1.51e+04} - equation: TQC4H7OHIQ-P <=> CH2CQCOHQ + CH3 # Reaction 1592 rate-constant: {A: 5.38e+11, b: 0.07, Ea: 2.48e+04} - equation: TQC4H7OHIQ-P => IC3H5Q + HOCHO + OH # Reaction 1593 rate-constant: {A: 5.38e+11, b: 0.07, Ea: 2.48e+04} - equation: TQC4H7OHIQ-P <=> COHQCYC(COC) + OH # Reaction 1594 rate-constant: {A: 2.28e+08, b: 1.29, Ea: 9890.0} - equation: TQC4H7OHIQ-P <=> QCYC(CCOC)OH + OH # Reaction 1595 rate-constant: {A: 4.58e+15, b: -1.08, Ea: 1.844e+04} - equation: IC3H5COHQ => HOCHO + C3H5-T + OH # Reaction 1596 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: CH2CQCOHQ => HOCHO + CH2CO + 2 OH # Reaction 1597 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: CH2CQCOHQ => HCO + CH2CO + 3 OH # Reaction 1598 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: IC3H5Q => CH2CO + CH3 + OH # Reaction 1599 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: COHQCYC(COC) => HOCHO + CH2O + C2H3 + OH # Reaction 1600 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: QCYC(CCOC)OH => HOCHO + CH2CO + CH3 + OH # Reaction 1601 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: TQC4H7OHIO2 <=> TQC4H7OHTO2 # Reaction 1602 rate-constant: {A: 2.956e+09, b: 0.04, Ea: 1.635e+04} - equation: TQC4H7OHTO2 <=> HOCOCQ(CH3)2 + OH # Reaction 1603 rate-constant: {A: 1.75e+08, b: 1.7, Ea: 2.6e+04} - equation: HOCOCQ(CH3)2 => CO + CH3COCH3 + 2 OH # Reaction 1604 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: IQC4H7OHTO2 <=> IQC4H7OHTQ-P # Reaction 1605 rate-constant: {A: 2.063e+07, b: 1.0, Ea: 2.107e+04} - equation: IQC4H7OHTQ-P => OH + CH2O + CH2COHCH2OOH # Reaction 1606 rate-constant: {A: 1.2e+10, b: 0.35, Ea: 1.57e+04} - equation: CH2COHCH2OOH => OH + CH2O + CH2CO + H # Reaction 1607 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: IQC4H7OHTQ-P <=> OH + IC4H6Q2-II # Reaction 1608 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.53e+40, b: -9.91, Ea: 3.26314e+04} - {P: 0.1 atm, A: 2.54e+37, b: -8.72, Ea: 3.29095e+04} - {P: 1.0 atm, A: 1.12e+31, b: -6.53, Ea: 3.18066e+04} - {P: 10.0 atm, A: 1.98e+21, b: -3.34, Ea: 2.91378e+04} - {P: 100.0 atm, A: 1.95e+10, b: 0.154, Ea: 2.5612e+04} - equation: IC4H6Q2-II => OH + CH2O + HO2 + C3H4-A # Reaction 1609 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: IQC4H7OHTO2 <=> IQC4H8OTQ-I # Reaction 1610 rate-constant: {A: 4.13e+07, b: 1.0, Ea: 2.107e+04} - equation: IQC4H8OTQ-I => OH + CH2O + C3KET21 # Reaction 1611 rate-constant: {A: 1.2e+10, b: 0.35, Ea: 1.57e+04} - equation: IQC4H8OTQ-I <=> CH3 + CO(CH2OOH)2 # Reaction 1612 rate-constant: {A: 2.74e+13, b: 0.24, Ea: 2.983e+04} - equation: CO(CH2OOH)2 => 2 OH + 2 CH2O + CO # Reaction 1613 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: IQC4H7OHTO2 <=> CHOC(CH3)OHCH2Q + OH # Reaction 1614 rate-constant: {A: 1.2e+10, b: 0.35, Ea: 1.57e+04} - equation: CHOC(CH3)OHCH2Q => OH + CH2O + H + CH3COCHO # Reaction 1615 rate-constant: {A: 1.59e+20, b: -1.5, Ea: 4.287946e+04} - equation: CH3COCHO + OH => 2 CO + CH3 + H2O # Reaction 1616 rate-constant: {A: 6.132995e+04, b: 2.65419, Ea: -4586.39996} - equation: TQC4H7OHI + O2 <=> TQC4H7OHIO2 # Reaction 1617 rate-constant: {A: 3.49e+14, b: -0.816, Ea: -536.49} - equation: IQC4H7OHT + O2 <=> IQC4H7OHTO2 # Reaction 1618 rate-constant: {A: 6.87e+16, b: -1.627, Ea: 198.7} - equation: C2CY(COC)OH + OH => IC3H6CO + OH + H2O # Reaction 1619 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.0} - equation: C2CY(COC)OH + HO2 => IC3H6CO + OH + H2O2 # Reaction 1620 rate-constant: {A: 8.6, b: 3.46, Ea: 9732.326} - equation: CCY(CCO)COH + OH => IC3H5CHO + OH + H2O # Reaction 1621 rate-constant: {A: 566.0, b: 2.93, Ea: -4039.4} - equation: CCY(CCO)COH + HO2 => IC3H5CHO + OH + H2O2 # Reaction 1622 rate-constant: {A: 0.181, b: 3.98, Ea: 9056.7} - equation: CCY(CCO)COH + OH => PC3H4OH-2 + CH2O + H2O # Reaction 1623 rate-constant: {A: 1260.0, b: 2.97, Ea: -2660.6} - equation: CCY(CCO)COH + HO2 => PC3H4OH-2 + CH2O + H2O2 # Reaction 1624 rate-constant: {A: 1.4e-05, b: 5.26, Ea: 8267.9} - equation: CCY(CCOC)OH + OH => CH2O + SC3H4OH + H2O # Reaction 1625 rate-constant: {A: 566.0, b: 2.93, Ea: -4039.4} - equation: CCY(CCOC)OH + HO2 => CH2O + SC3H4OH + H2O2 # Reaction 1626 rate-constant: {A: 0.181, b: 3.98, Ea: 9056.7} - equation: IC4H7 + OH <=> IC4H7OH # Reaction 1627 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: IC4H7O + H <=> IC4H7OH # Reaction 1628 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0} - equation: IC4H6OH + H <=> IC4H7OH # Reaction 1629 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH2CCH2OH + CH3 <=> IC4H7OH # Reaction 1630 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: IC4H7OH + O2 <=> IC4H6OH + HO2 # Reaction 1631 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 3.99e+04} - equation: IC4H7OH + OH <=> IC4H6OH + H2O # Reaction 1632 rate-constant: {A: 1260.0, b: 2.97, Ea: -2660.593} - equation: IC4H7OH + HO2 <=> IC4H6OH + H2O2 # Reaction 1633 rate-constant: {A: 1.45e-05, b: 5.26, Ea: 8267.907} - equation: IC4H6OH + H2 <=> IC4H7OH + H # Reaction 1634 rate-constant: {A: 2.16e+04, b: 2.38, Ea: 1.899e+04} - equation: IC4H6OH + CH2O <=> IC4H7OH + HCO # Reaction 1635 rate-constant: {A: 6.3e+08, b: 1.9, Ea: 1.819e+04} - equation: IC4H6OH + IC4H8 <=> IC4H7OH + IC4H7 # Reaction 1636 rate-constant: {A: 470.0, b: 3.3, Ea: 1.984e+04} - equation: IC4H7O + H2 <=> IC4H7OH + H # Reaction 1637 rate-constant: {A: 9.05e+06, b: 2.0, Ea: 1.783e+04} - equation: IC4H7OH + HCO <=> IC4H7O + CH2O # Reaction 1638 rate-constant: {A: 3.02e+11, b: 0.0, Ea: 1.816e+04} - equation: C3H4-A + CH2OH <=> IC4H6OH # Reaction 1639 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9200.0} - equation: IC4H7O <=> IC4H6OH # Reaction 1640 rate-constant: {A: 1.391e+11, b: 0.0, Ea: 1.56e+04} - equation: IC4H6OH + HO2 => CH2CCH2OH + CH2O + OH # Reaction 1641 rate-constant: {A: 1.446e+13, b: 0.0, Ea: 0.0} - equation: IC4H7OH + H <=> IC4H8OH # Reaction 1642 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1200.0} - equation: IC4H7O + O2 <=> IC3H5CHO + HO2 # Reaction 1643 rate-constant: {A: 3.0e+10, b: 0.0, Ea: 1649.0} - equation: IC4H7O + HO2 <=> IC3H5CHO + H2O2 # Reaction 1644 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 0.0} - equation: IC4H7O + CH3 <=> IC3H5CHO + CH4 # Reaction 1645 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: IC4H7O + O <=> IC3H5CHO + OH # Reaction 1646 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: IC4H7O + OH <=> IC3H5CHO + H2O # Reaction 1647 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: IC4H7O + H <=> IC3H5CHO + H2 # Reaction 1648 rate-constant: {A: 1.99e+13, b: 0.0, Ea: 0.0} - equation: IC3H6OHCHO + OH => TC3H6OH + CO + H2O # Reaction 1649 rate-constant: {A: 6.13299e+04, b: 2.65, Ea: -4586.4} - equation: IC3H6OHCHO + H => TC3H6OH + CO + H2 # Reaction 1650 rate-constant: {A: 8.66e+05, b: 2.3, Ea: 1426.0} - equation: IC3H6OHCHO + HO2 => TC3H6OH + CO + H2O2 # Reaction 1651 rate-constant: {A: 1.01e-04, b: 5.0, Ea: 3429.0} - equation: IC3H6OHCHO + CH3 => TC3H6OH + CO + CH4 # Reaction 1652 rate-constant: {A: 3.94, b: 3.6, Ea: 4223.0} - equation: TC3H6OH <=> CH3COCH3 + H # Reaction 1653 rate-constant: {A: 8.981e+11, b: 0.271, Ea: 3.299e+04} - equation: TC3H6OH <=> IC3H5OH + H # Reaction 1654 rate-constant: {A: 4.211e+10, b: 1.005, Ea: 4.09e+04} - equation: TC3H6OH + O2 <=> CH3COCH3 + HO2 # Reaction 1655 rate-constant: {A: 2.23e+13, b: 0.0, Ea: 0.0} - equation: C3H5-A + CH3 (+ M) <=> C4H8-1 (+ M) # Reaction 1656 type: falloff low-P-rate-constant: {A: 3.91e+60, b: -12.81, Ea: 6250.0} high-P-rate-constant: {A: 1.0e+14, b: -0.32, Ea: -262.3} Troe: {A: 0.104, T3: 1606.0, T1: 6.0e+04, T2: 6118.4} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C2H5 + C2H3 (+ M) <=> C4H8-1 (+ M) # Reaction 1657 type: falloff low-P-rate-constant: {A: 1.55e+56, b: -11.79, Ea: 8984.5} high-P-rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.198, T3: 2277.9, T1: 6.0e+04, T2: 5723.2} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C4H71-4 + H (+ M) <=> C4H8-1 (+ M) # Reaction 1658 type: falloff low-P-rate-constant: {A: 3.01e+48, b: -9.32, Ea: 5833.6} high-P-rate-constant: {A: 3.6e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.498, T3: 1314.0, T1: 1314.0, T2: 5.0e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C4H71-3 + H <=> C4H8-1 # Reaction 1659 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 5000.0} - equation: C3H5-S + CH3 (+ M) <=> C4H8-2 (+ M) # Reaction 1660 type: falloff low-P-rate-constant: {A: 8.54e+58, b: -11.94, Ea: 9769.8} high-P-rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} Troe: {A: 0.175, T3: 1340.6, T1: 6.0e+04, T2: 1.01398e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0, C2H4: 3.0, C2H2: 3.0} - equation: C4H8-2 <=> C3H5-A + CH3 # Reaction 1661 rate-constant: {A: 7.5e+65, b: -15.6, Ea: 9.73e+04} - equation: C4H8-2 <=> H + C4H71-3 # Reaction 1662 rate-constant: {A: 4.6e+84, b: -20.03, Ea: 1.32787e+05} - equation: C4H8-1 + OH <=> C4H71-3 + H2O # Reaction 1663 rate-constant: {A: 7.769e+05, b: 2.2, Ea: -437.18} - equation: C4H8-1 + OH <=> C4H71-4 + H2O # Reaction 1664 rate-constant: {A: 8.6e+06, b: 2.03, Ea: 2623.1} - equation: C4H8-1 + OH <=> C4H71-2 + H2O # Reaction 1665 rate-constant: {A: 3.0e+06, b: 1.97, Ea: 2847.66} - equation: C4H8-1 + OH <=> C4H71-1 + H2O # Reaction 1666 rate-constant: {A: 6.93e+06, b: 1.92, Ea: 4962.04} - equation: C4H8-2 + OH <=> C4H71-3 + H2O # Reaction 1667 rate-constant: {A: 4.46e+06, b: 2.072, Ea: 1050.8} - equation: C4H8-2 + OH <=> C4H72-2 + H2O # Reaction 1668 rate-constant: {A: 6.0e+06, b: 1.97, Ea: 2845.9} - equation: C4H8-1 + HO2 <=> C4H71-3 + H2O2 # Reaction 1669 rate-constant: {A: 0.782, b: 3.97, Ea: 1.1702e+04} - equation: C4H8-2 + HO2 <=> C4H71-3 + H2O2 # Reaction 1670 rate-constant: {A: 0.69, b: 4.0, Ea: 1.2103e+04} - equation: C4H8-1 + HO2 <=> C4H71-4 + H2O2 # Reaction 1671 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: C4H8-1 + HO2 <=> C4H71-1 + H2O2 # Reaction 1672 rate-constant: {A: 957.0, b: 3.059, Ea: 2.07986e+04} - equation: C4H8-1 + HO2 <=> C4H71-2 + H2O2 # Reaction 1673 rate-constant: {A: 1.56e+04, b: 2.82, Ea: 2.44279e+04} - equation: C4H8-2 + HO2 <=> C4H72-2 + H2O2 # Reaction 1674 rate-constant: {A: 3.12e+04, b: 2.82, Ea: 2.44279e+04} - equation: C4H8-1 + H <=> C4H71-4 + H2 # Reaction 1675 rate-constant: {A: 3.84e+04, b: 2.87, Ea: 6611.0} - equation: C4H8-1 + H <=> C4H71-3 + H2 # Reaction 1676 rate-constant: {A: 2420.0, b: 3.05, Ea: 1995.0} - equation: C4H8-1 + H <=> C4H71-2 + H2 # Reaction 1677 rate-constant: {A: 2.37e+04, b: 2.85, Ea: 8917.0} - equation: C4H8-1 + H <=> C4H71-1 + H2 # Reaction 1678 rate-constant: {A: 2.63e+04, b: 2.83, Ea: 1.205e+04} duplicate: true - equation: C4H8-1 + H <=> C4H71-1 + H2 # Reaction 1679 rate-constant: {A: 2.23e+04, b: 2.85, Ea: 1.171e+04} duplicate: true - equation: C4H8-2 + H <=> C4H71-3 + H2 # Reaction 1680 rate-constant: {A: 562.0, b: 3.5, Ea: 1627.0} - equation: C4H8-2 + H <=> C4H72-2 + H2 # Reaction 1681 rate-constant: {A: 8.47e+04, b: 2.76, Ea: 9304.0} - equation: C4H8-1 + O <=> C4H71-3 + OH # Reaction 1682 rate-constant: {A: 1.75e+11, b: 0.7, Ea: 5884.0} - equation: C4H8-2 + O <=> C4H71-3 + OH # Reaction 1683 rate-constant: {A: 2.19e+11, b: 0.81, Ea: 7550.0} - equation: C4H8-1 + O <=> C4H71-1 + OH # Reaction 1684 rate-constant: {A: 1.2e+11, b: 0.7, Ea: 8959.1} - equation: C4H8-1 + O <=> C4H71-2 + OH # Reaction 1685 rate-constant: {A: 6.03e+10, b: 0.7, Ea: 7632.0} - equation: C4H8-2 + O <=> C4H72-2 + OH # Reaction 1686 rate-constant: {A: 1.206e+11, b: 0.7, Ea: 7632.0} - equation: C4H8-1 + O <=> C4H71-4 + OH # Reaction 1687 rate-constant: {A: 1.13e+14, b: 0.0, Ea: 7850.0} - equation: C4H8-1 + O2 <=> C4H71-3 + HO2 # Reaction 1688 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 3.719e+04} - equation: C4H8-2 + O2 <=> C4H71-3 + HO2 # Reaction 1689 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 3.939e+04} - equation: C4H8-1 + O2 <=> C4H71-1 + HO2 # Reaction 1690 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 6.227e+04} - equation: C4H8-1 + O2 <=> C4H71-2 + HO2 # Reaction 1691 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 5.877e+04} - equation: C4H8-2 + O2 <=> C4H72-2 + HO2 # Reaction 1692 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5.877e+04} - equation: C4H8-1 + O2 <=> C4H71-4 + HO2 # Reaction 1693 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 5.234e+04} - equation: C4H8-1 + CH3 <=> C4H71-3 + CH4 # Reaction 1694 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: C4H8-1 + CH3 <=> C4H71-4 + CH4 # Reaction 1695 rate-constant: {A: 0.452, b: 3.65, Ea: 7154.0} - equation: C4H8-2 + CH3 <=> C4H71-3 + CH4 # Reaction 1696 rate-constant: {A: 7.14, b: 3.57, Ea: 7642.0} - equation: C4H8-1 + CH3 <=> C4H71-1 + CH4 # Reaction 1697 rate-constant: {A: 1.348, b: 3.5, Ea: 1.285e+04} - equation: C4H8-1 + CH3 <=> C4H71-2 + CH4 # Reaction 1698 rate-constant: {A: 0.84, b: 3.5, Ea: 1.166e+04} - equation: C4H8-2 + CH3 <=> C4H72-2 + CH4 # Reaction 1699 rate-constant: {A: 1.68, b: 3.5, Ea: 1.166e+04} - equation: C4H8-1 + CH3O2 <=> C4H71-3 + CH3O2H # Reaction 1700 rate-constant: {A: 2.7e+04, b: 0.7, Ea: 5884.0} - equation: C4H8-1 + CH3O2 <=> C4H71-4 + CH3O2H # Reaction 1701 rate-constant: {A: 2380.0, b: 2.55, Ea: 1.649e+04} - equation: C4H8-1 + CH3O <=> C4H71-3 + CH3OH # Reaction 1702 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C4H8-1 + CH3O <=> C4H71-4 + CH3OH # Reaction 1703 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C4H8-2 + CH3O <=> C4H71-3 + CH3OH # Reaction 1704 rate-constant: {A: 18.0, b: 2.95, Ea: 1.199e+04} - equation: C4H8-1 + CH3CO3 <=> C4H71-3 + CH3CO3H # Reaction 1705 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 8000.0} - equation: C4H8-1 + C3H5-A <=> C4H71-3 + C3H6 # Reaction 1706 rate-constant: {A: 7.9e+10, b: 0.0, Ea: 1.24e+04} - equation: C4H8-1 + C2H5O2 <=> C4H71-3 + C2H5O2H # Reaction 1707 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-1 + NC3H7O2 <=> C4H71-3 + NC3H7O2H # Reaction 1708 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-1 + IC3H7O2 <=> C4H71-3 + IC3H7O2H # Reaction 1709 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-1 + PC4H9O2 <=> C4H71-3 + PC4H9O2H # Reaction 1710 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-1 + SC4H9O2 <=> C4H71-3 + SC4H9O2H # Reaction 1711 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-2 + NC3H7O2 <=> C4H71-3 + NC3H7O2H # Reaction 1712 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-2 + IC3H7O2 <=> C4H71-3 + IC3H7O2H # Reaction 1713 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-2 + PC4H9O2 <=> C4H71-3 + PC4H9O2H # Reaction 1714 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H8-2 + SC4H9O2 <=> C4H71-3 + SC4H9O2H # Reaction 1715 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H71-3 + C2H5 <=> C4H8-1 + C2H4 # Reaction 1716 rate-constant: {A: 2.59e+12, b: 0.0, Ea: -131.0} - equation: C4H71-3 + CH3O <=> C4H8-1 + CH2O # Reaction 1717 rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0} - equation: IC4H9O2 + C4H8-1 <=> IC4H9O2H + C4H71-3 # Reaction 1718 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: TC4H9O2 + C4H8-1 <=> TC4H9O2H + C4H71-3 # Reaction 1719 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: IC4H9O2 + C4H8-2 <=> IC4H9O2H + C4H71-3 # Reaction 1720 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: TC4H9O2 + C4H8-2 <=> TC4H9O2H + C4H71-3 # Reaction 1721 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 1.49e+04} - equation: C4H71-1 <=> C4H6-1 + H # Reaction 1722 rate-constant: {A: 8.95e+08, b: 1.14, Ea: 3.56364576e+04} - equation: C4H71-1 <=> C2H5 + C2H2 # Reaction 1723 rate-constant: {A: 2.85e+12, b: 0.68, Ea: 3.31782912e+04} - equation: C4H71-2 <=> C4H6-1 + H # Reaction 1724 rate-constant: {A: 9.79e+08, b: 1.2, Ea: 3.80807136e+04} - equation: C4H71-2 <=> C4H612 + H # Reaction 1725 rate-constant: {A: 1.99e+08, b: 1.56, Ea: 3.76832736e+04} - equation: C4H71-2 <=> C3H4-A + CH3 # Reaction 1726 rate-constant: {A: 1.23e+10, b: 1.19, Ea: 3.29159808e+04} - equation: C4H71-3 <=> C4H612 + H # Reaction 1727 rate-constant: {A: 3.95e+11, b: 0.93, Ea: 6.16111488e+04} - equation: C4H71-3 <=> C4H6 + H # Reaction 1728 rate-constant: {A: 8.53e+07, b: 1.95, Ea: 4.74901056e+04} - equation: C4H71-4 <=> C2H4 + C2H3 # Reaction 1729 rate-constant: {A: 2.84e+10, b: 0.99, Ea: 3.89988e+04} - equation: C4H71-4 <=> C4H6 + H # Reaction 1730 rate-constant: {A: 1.32e+05, b: 2.28, Ea: 3.3245856e+04} - equation: C4H72-2 <=> C4H6-2 + H # Reaction 1731 rate-constant: {A: 7.87e+09, b: 1.16, Ea: 3.61730016e+04} - equation: C4H72-2 <=> C4H612 + H # Reaction 1732 rate-constant: {A: 9.54e+07, b: 1.81, Ea: 3.89928384e+04} - equation: C4H72-2 <=> C3H4-P + CH3 # Reaction 1733 rate-constant: {A: 6.3e+11, b: 0.93, Ea: 3.47541408e+04} - equation: C4H71-3 <=> C4H71-4 # Reaction 1734 rate-constant: {A: 5.62e-12, b: 7.19, Ea: 3.62008224e+04} - equation: C4H71-3 <=> C4H72-2 # Reaction 1735 rate-constant: {A: 6.76e-23, b: 10.21, Ea: 4.15742112e+04} - equation: C4H71-3 + HO2 <=> C4H71-3OOH # Reaction 1736 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 20.5, b: 1.24, Ea: -2.2589e+04} - {P: 0.1 atm, A: 3.69e+06, b: 0.08, Ea: -1.8331e+04} - {P: 1.0 atm, A: 2.02e+13, b: -1.45, Ea: -1.1709e+04} - {P: 2.0 atm, A: 1.49e+15, b: -1.87, Ea: -9604.0} - {P: 5.0 atm, A: 1.85e+17, b: -2.31, Ea: -6991.0} - {P: 10.0 atm, A: 2.88e+18, b: -2.55, Ea: -5260.0} - {P: 30.0 atm, A: 3.45e+19, b: -2.71, Ea: -3140.0} - {P: 50.0 atm, A: 5.33e+19, b: -2.7, Ea: -2438.0} - equation: C4H71-3 + HO2 <=> C4H71-O + OH # Reaction 1737 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.9e+20, b: -2.68, Ea: 229.0} - {P: 0.1 atm, A: 4.5e+22, b: -3.18, Ea: 1760.0} - {P: 1.0 atm, A: 8.61e+27, b: -4.63, Ea: 6415.0} - {P: 2.0 atm, A: 1.92e+30, b: -5.28, Ea: 8578.0} - {P: 5.0 atm, A: 5.46e+33, b: -6.22, Ea: 1.1879e+04} - {P: 10.0 atm, A: 2.98e+36, b: -6.97, Ea: 1.46e+04} - {P: 30.0 atm, A: 5.58e+40, b: -8.14, Ea: 1.904e+04} - {P: 50.0 atm, A: 4.44e+42, b: -8.67, Ea: 2.1071e+04} - equation: C4H71-3 + HO2 <=> C2H3COCH3 + H2O # Reaction 1738 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.16e+14, b: -1.74, Ea: 1910.0} - {P: 0.1 atm, A: 1.62e+16, b: -2.16, Ea: 3167.0} - {P: 1.0 atm, A: 9.73e+20, b: -3.47, Ea: 7339.0} - {P: 2.0 atm, A: 1.7e+23, b: -4.09, Ea: 9378.0} - {P: 5.0 atm, A: 4.33e+26, b: -5.02, Ea: 1.2574e+04} - {P: 10.0 atm, A: 2.59e+29, b: -5.78, Ea: 1.5275e+04} - {P: 30.0 atm, A: 7.85e+33, b: -7.01, Ea: 1.9801e+04} - {P: 50.0 atm, A: 8.84e+35, b: -7.58, Ea: 2.1918e+04} - equation: C4H71-3OOH <=> C4H71-O + OH # Reaction 1739 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.41e+35, b: -7.37, Ea: 3.9745e+04} - {P: 0.1 atm, A: 6.64e+37, b: -7.6, Ea: 4.4224e+04} - {P: 1.0 atm, A: 7.09e+37, b: -7.24, Ea: 4.7692e+04} - {P: 2.0 atm, A: 1.92e+37, b: -6.97, Ea: 4.835e+04} - {P: 5.0 atm, A: 1.2e+36, b: -6.51, Ea: 4.8849e+04} - {P: 10.0 atm, A: 7.17e+34, b: -6.08, Ea: 4.8933e+04} - {P: 30.0 atm, A: 3.69e+32, b: -5.32, Ea: 4.8614e+04} - {P: 50.0 atm, A: 3.04e+31, b: -4.97, Ea: 4.8341e+04} - equation: C4H71-3OOH <=> C2H3COCH3 + H2O # Reaction 1740 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.58e+23, b: -4.64, Ea: 3.8121e+04} - {P: 0.1 atm, A: 2.85e+27, b: -5.36, Ea: 4.3407e+04} - {P: 1.0 atm, A: 2.63e+29, b: -5.53, Ea: 4.8042e+04} - {P: 2.0 atm, A: 2.83e+29, b: -5.43, Ea: 4.9101e+04} - {P: 5.0 atm, A: 1.04e+29, b: -5.18, Ea: 5.0137e+04} - {P: 10.0 atm, A: 2.12e+28, b: -4.89, Ea: 5.061e+04} - {P: 30.0 atm, A: 5.39e+26, b: -4.33, Ea: 5.0818e+04} - {P: 50.0 atm, A: 7.76e+25, b: -4.04, Ea: 5.0737e+04} - equation: C4H71-O <=> C2H3 + CH3CHO # Reaction 1741 rate-constant: {A: 8.52e+25, b: -3.61, Ea: 2.78634e+04} - equation: C4H71-O <=> AC3H5OCH2 # Reaction 1742 rate-constant: {A: 1.35e+18, b: -1.73, Ea: 1.73865e+04} - equation: C4H71-O <=> CH2CH2COCH3 # Reaction 1743 rate-constant: {A: 1.67e+21, b: -2.74, Ea: 2.03377e+04} - equation: C4H71-O <=> C2H3COCH3 + H # Reaction 1744 rate-constant: {A: 2.57e+20, b: -2.06, Ea: 2.20401e+04} - equation: C4H71-O <=> C2H4 + CH3CO # Reaction 1745 rate-constant: {A: 4.75e+08, b: 1.14, Ea: 2.09225e+04} - equation: AC3H5OCH2 <=> C3H5-A + CH2O # Reaction 1746 rate-constant: {A: 8.81e+14, b: -0.326, Ea: 3.15531e+04} - equation: AC3H5OCH2 <=> CH2CH2COCH3 # Reaction 1747 rate-constant: {A: 2.51e+20, b: -2.63, Ea: 2.92884e+04} - equation: AC3H5OCH2 <=> C2H3COCH3 + H # Reaction 1748 rate-constant: {A: 3.98e+18, b: -1.62, Ea: 3.01298e+04} - equation: AC3H5OCH2 <=> C3H6 + HCO # Reaction 1749 rate-constant: {A: 3.73e+14, b: -0.726, Ea: 3.20083e+04} - equation: CH2CH2COCH3 <=> C2H3 + CH3CHO # Reaction 1750 rate-constant: {A: 1.93e+19, b: -1.94, Ea: 4.844e+04} - equation: CH2CH2COCH3 <=> C2H3COCH3 + H # Reaction 1751 rate-constant: {A: 4.52e+12, b: 0.214, Ea: 3.45705e+04} - equation: CH2CH2COCH3 <=> C2H4 + CH3CO # Reaction 1752 rate-constant: {A: 1.59e+13, b: 0.063, Ea: 2.40863e+04} - equation: C2H3 + CH3CHO <=> C2H4 + CH3CO # Reaction 1753 rate-constant: {A: 16.5, b: 3.17, Ea: 9399.8} - equation: C4H71-3 + HO2 <=> C4H72-1OOH # Reaction 1754 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.0e+07, b: -0.33, Ea: -1.7896e+04} - {P: 0.1 atm, A: 1.15e+11, b: -1.16, Ea: -1.4831e+04} - {P: 1.0 atm, A: 2.95e+16, b: -2.33, Ea: -9451.0} - {P: 2.0 atm, A: 7.68e+17, b: -2.62, Ea: -7705.0} - {P: 5.0 atm, A: 2.21e+19, b: -2.89, Ea: -5556.0} - {P: 10.0 atm, A: 1.14e+20, b: -2.99, Ea: -4159.0} - {P: 30.0 atm, A: 2.8e+20, b: -2.96, Ea: -2503.0} - {P: 50.0 atm, A: 2.4e+20, b: -2.88, Ea: -1971.0} - equation: C4H71-3 + HO2 <=> C4H7O2-1 + OH # Reaction 1755 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.81e+20, b: -2.68, Ea: 217.0} - {P: 0.1 atm, A: 2.25e+22, b: -3.1, Ea: 1516.0} - {P: 1.0 atm, A: 2.75e+27, b: -4.49, Ea: 6067.0} - {P: 2.0 atm, A: 6.27e+29, b: -5.14, Ea: 8273.0} - {P: 5.0 atm, A: 1.96e+33, b: -6.09, Ea: 1.1661e+04} - {P: 10.0 atm, A: 1.16e+36, b: -6.85, Ea: 1.4456e+04} - {P: 30.0 atm, A: 2.51e+40, b: -8.04, Ea: 1.9009e+04} - {P: 50.0 atm, A: 2.18e+42, b: -8.58, Ea: 2.109e+04} - equation: C4H71-3 + HO2 <=> SC3H5CHO + H2O # Reaction 1756 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.62e+14, b: -1.6, Ea: 1519.0} - {P: 0.1 atm, A: 3.19e+15, b: -1.96, Ea: 2620.0} - {P: 1.0 atm, A: 1.69e+20, b: -3.26, Ea: 6800.0} - {P: 2.0 atm, A: 3.39e+22, b: -3.89, Ea: 8918.0} - {P: 5.0 atm, A: 1.09e+26, b: -4.85, Ea: 1.2249e+04} - {P: 10.0 atm, A: 7.81e+28, b: -5.63, Ea: 1.5058e+04} - {P: 30.0 atm, A: 3.14e+33, b: -6.89, Ea: 1.9743e+04} - {P: 50.0 atm, A: 4.07e+35, b: -7.48, Ea: 2.1927e+04} - equation: C4H72-1OOH <=> C4H7O2-1 + OH # Reaction 1757 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.07e+35, b: -7.39, Ea: 3.9733e+04} - {P: 0.1 atm, A: 7.69e+37, b: -7.63, Ea: 4.3994e+04} - {P: 1.0 atm, A: 2.76e+37, b: -7.14, Ea: 4.7024e+04} - {P: 2.0 atm, A: 4.32e+36, b: -6.81, Ea: 4.7507e+04} - {P: 5.0 atm, A: 1.21e+35, b: -6.24, Ea: 4.776e+04} - {P: 10.0 atm, A: 3.92e+33, b: -5.74, Ea: 4.7658e+04} - {P: 30.0 atm, A: 8.62e+30, b: -4.88, Ea: 4.7084e+04} - {P: 50.0 atm, A: 5.29e+29, b: -4.5, Ea: 4.6721e+04} - equation: C4H72-1OOH <=> SC3H5CHO + H2O # Reaction 1758 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.15e+24, b: -4.78, Ea: 3.8584e+04} - {P: 0.1 atm, A: 9.65e+27, b: -5.51, Ea: 4.3561e+04} - {P: 1.0 atm, A: 2.33e+29, b: -5.53, Ea: 4.7626e+04} - {P: 2.0 atm, A: 1.29e+29, b: -5.35, Ea: 4.8469e+04} - {P: 5.0 atm, A: 1.81e+28, b: -4.98, Ea: 4.9208e+04} - {P: 10.0 atm, A: 1.76e+27, b: -4.61, Ea: 4.9458e+04} - {P: 30.0 atm, A: 1.59e+25, b: -3.91, Ea: 4.9357e+04} - {P: 50.0 atm, A: 1.58e+24, b: -3.58, Ea: 4.9164e+04} - equation: C4H7O2-1 <=> C3H5-S + CH2O # Reaction 1759 rate-constant: {A: 8.52e+25, b: -3.61, Ea: 2.78634e+04} - equation: C4H7O2-1 <=> SC3H5OCH2-1 # Reaction 1760 rate-constant: {A: 1.35e+18, b: -1.73, Ea: 1.73865e+04} - equation: C4H7O2-1 <=> C3H6CHO-2 # Reaction 1761 rate-constant: {A: 1.67e+21, b: -2.74, Ea: 2.03377e+04} - equation: C4H7O2-1 <=> SC3H5CHO + H # Reaction 1762 rate-constant: {A: 2.57e+20, b: -2.06, Ea: 2.20401e+04} - equation: C4H7O2-1 <=> C3H6 + HCO # Reaction 1763 rate-constant: {A: 4.75e+08, b: 1.14, Ea: 2.09225e+04} - equation: SC3H5OCH2-1 <=> C3H5-S + CH2O # Reaction 1764 rate-constant: {A: 8.81e+14, b: -0.326, Ea: 3.15531e+04} - equation: SC3H5OCH2-1 <=> C3H6CHO-2 # Reaction 1765 rate-constant: {A: 2.51e+20, b: -2.63, Ea: 2.92884e+04} - equation: SC3H5OCH2-1 <=> SC3H5CHO + H # Reaction 1766 rate-constant: {A: 3.98e+18, b: -1.62, Ea: 3.01298e+04} - equation: SC3H5OCH2-1 <=> C3H6 + HCO # Reaction 1767 rate-constant: {A: 3.73e+14, b: -0.726, Ea: 3.20083e+04} - equation: C3H6CHO-2 <=> C3H5-S + CH2O # Reaction 1768 rate-constant: {A: 1.93e+19, b: -1.94, Ea: 4.844e+04} - equation: C3H6CHO-2 <=> SC3H5CHO + H # Reaction 1769 rate-constant: {A: 4.52e+12, b: 0.214, Ea: 3.45705e+04} - equation: C3H6CHO-2 <=> C3H6 + HCO # Reaction 1770 rate-constant: {A: 1.59e+13, b: 0.063, Ea: 2.40863e+04} - equation: C3H5-S + CH2O <=> C3H6 + HCO # Reaction 1771 rate-constant: {A: 16.5, b: 3.17, Ea: 9399.8} - equation: C4H71-3 + CH3O2 <=> C4H71-3OOCH3 # Reaction 1772 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 10.3, b: 1.24, Ea: -2.2589e+04} - {P: 0.1 atm, A: 1.85e+06, b: 0.08, Ea: -1.8331e+04} - {P: 1.0 atm, A: 1.01e+13, b: -1.45, Ea: -1.1709e+04} - {P: 2.0 atm, A: 7.45e+14, b: -1.87, Ea: -9604.0} - {P: 5.0 atm, A: 9.25e+16, b: -2.31, Ea: -6991.0} - {P: 10.0 atm, A: 1.44e+18, b: -2.55, Ea: -5260.0} - {P: 30.0 atm, A: 1.73e+19, b: -2.71, Ea: -3140.0} - {P: 50.0 atm, A: 2.67e+19, b: -2.7, Ea: -2438.0} - equation: C4H71-3 + CH3O2 <=> C4H71-O + CH3O # Reaction 1773 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.45e+20, b: -2.68, Ea: 229.0} - {P: 0.1 atm, A: 2.25e+22, b: -3.18, Ea: 1760.0} - {P: 1.0 atm, A: 4.31e+27, b: -4.63, Ea: 6415.0} - {P: 2.0 atm, A: 9.6e+29, b: -5.28, Ea: 8578.0} - {P: 5.0 atm, A: 2.73e+33, b: -6.22, Ea: 1.1879e+04} - {P: 10.0 atm, A: 1.49e+36, b: -6.97, Ea: 1.46e+04} - {P: 30.0 atm, A: 2.79e+40, b: -8.14, Ea: 1.904e+04} - {P: 50.0 atm, A: 2.22e+42, b: -8.67, Ea: 2.1071e+04} - equation: C4H71-3OOCH3 <=> C4H71-O + CH3O # Reaction 1774 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.21e+35, b: -7.37, Ea: 3.9745e+04} - {P: 0.1 atm, A: 3.32e+37, b: -7.6, Ea: 4.4224e+04} - {P: 1.0 atm, A: 3.55e+37, b: -7.24, Ea: 4.7692e+04} - {P: 2.0 atm, A: 9.6e+36, b: -6.97, Ea: 4.835e+04} - {P: 5.0 atm, A: 6.0e+35, b: -6.51, Ea: 4.8849e+04} - {P: 10.0 atm, A: 3.59e+34, b: -6.08, Ea: 4.8933e+04} - {P: 30.0 atm, A: 1.85e+32, b: -5.32, Ea: 4.8614e+04} - {P: 50.0 atm, A: 1.52e+31, b: -4.97, Ea: 4.8341e+04} - equation: C4H71-3 + CH3O2 <=> C4H72-1OOCH3 # Reaction 1775 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.0e+06, b: -0.33, Ea: -1.7896e+04} - {P: 0.1 atm, A: 5.75e+10, b: -1.16, Ea: -1.4831e+04} - {P: 1.0 atm, A: 1.48e+16, b: -2.33, Ea: -9451.0} - {P: 2.0 atm, A: 3.84e+17, b: -2.62, Ea: -7705.0} - {P: 5.0 atm, A: 1.11e+19, b: -2.89, Ea: -5556.0} - {P: 10.0 atm, A: 5.7e+19, b: -2.99, Ea: -4159.0} - {P: 30.0 atm, A: 1.4e+20, b: -2.96, Ea: -2503.0} - {P: 50.0 atm, A: 1.2e+20, b: -2.88, Ea: -1971.0} - equation: C4H71-3 + CH3O2 <=> C4H7O2-1 + CH3O # Reaction 1776 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.41e+20, b: -2.68, Ea: 217.0} - {P: 0.1 atm, A: 1.13e+22, b: -3.1, Ea: 1516.0} - {P: 1.0 atm, A: 1.38e+27, b: -4.49, Ea: 6067.0} - {P: 2.0 atm, A: 3.14e+29, b: -5.14, Ea: 8273.0} - {P: 5.0 atm, A: 9.8e+32, b: -6.09, Ea: 1.1661e+04} - {P: 10.0 atm, A: 5.8e+35, b: -6.85, Ea: 1.4456e+04} - {P: 30.0 atm, A: 1.26e+40, b: -8.04, Ea: 1.9009e+04} - {P: 50.0 atm, A: 1.09e+42, b: -8.58, Ea: 2.109e+04} - equation: C4H72-1OOCH3 <=> C4H7O2-1 + CH3O # Reaction 1777 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.54e+35, b: -7.39, Ea: 3.9733e+04} - {P: 0.1 atm, A: 3.85e+37, b: -7.63, Ea: 4.3994e+04} - {P: 1.0 atm, A: 1.38e+37, b: -7.14, Ea: 4.7024e+04} - {P: 2.0 atm, A: 2.16e+36, b: -6.81, Ea: 4.7507e+04} - {P: 5.0 atm, A: 6.05e+34, b: -6.24, Ea: 4.776e+04} - {P: 10.0 atm, A: 1.96e+33, b: -5.74, Ea: 4.7658e+04} - {P: 30.0 atm, A: 4.31e+30, b: -4.88, Ea: 4.7084e+04} - {P: 50.0 atm, A: 2.65e+29, b: -4.5, Ea: 4.6721e+04} - equation: C4H71-3 + C2H5O2 <=> C4H71-O + C2H5O # Reaction 1778 rate-constant: {A: 3.8e+12, b: 0.0, Ea: -1200.0} - equation: IC3H7O2 + C4H71-3 <=> IC3H7O + C4H71-O # Reaction 1779 rate-constant: {A: 3.8e+12, b: 0.0, Ea: -1200.0} - equation: NC3H7O2 + C4H71-3 <=> NC3H7O + C4H71-O # Reaction 1780 rate-constant: {A: 3.8e+12, b: 0.0, Ea: -1200.0} - equation: C4H71-O <=> C2H3CHO + CH3 # Reaction 1781 rate-constant: {A: 7.94e+14, b: 0.0, Ea: 1.9e+04} - equation: C4H71-3 + O <=> C2H3CHO + CH3 # Reaction 1782 rate-constant: {A: 6.03e+13, b: 0.0, Ea: 0.0} - equation: C4H71-3 + O2 <=> C4H6 + HO2 # Reaction 1783 rate-constant: {A: 1.07, b: 3.71, Ea: 9322.0} - equation: H + C4H71-3 <=> C4H6 + H2 # Reaction 1784 rate-constant: {A: 3.16e+13, b: 0.0, Ea: 0.0} - equation: C2H5 + C4H71-3 <=> C4H6 + C2H6 # Reaction 1785 rate-constant: {A: 3.98e+12, b: 0.0, Ea: 0.0} - equation: C2H3 + C4H71-3 <=> C2H4 + C4H6 # Reaction 1786 rate-constant: {A: 3.98e+12, b: 0.0, Ea: 0.0} - equation: C3H5-A + C4H71-3 <=> C3H6 + C4H6 # Reaction 1787 rate-constant: {A: 6.31e+12, b: 0.0, Ea: 0.0} - equation: C4H71-3 + C4H71-3 <=> C8H141-5,3-4 # Reaction 1788 rate-constant: {A: 4.11e+16, b: -1.26, Ea: 1560.62} - equation: C4H71-3 + C4H71-3 <=> C8H141-5,3 # Reaction 1789 rate-constant: {A: 4.11e+16, b: -1.26, Ea: 1560.62} - equation: C4H71-3 + C4H71-3 <=> C8H142-6 # Reaction 1790 rate-constant: {A: 4.11e+16, b: -1.26, Ea: 1560.62} - equation: C8H141-5,3-4 + OH <=> C8H131-5,3-4,TA + H2O # Reaction 1791 rate-constant: {A: 2.5e+06, b: 2.0, Ea: -2629.06} - equation: C8H141-5,3 + OH <=> C8H131-5,3,TA + H2O # Reaction 1792 rate-constant: {A: 1.3e+06, b: 2.0, Ea: -2629.06} - equation: C8H141-5,3 + OH <=> C8H131-5,3,SA + H2O # Reaction 1793 rate-constant: {A: 3.2e+06, b: 2.0, Ea: -1434.03} - equation: C8H141-5,3 + OH <=> C8H131-5,3,PA + H2O # Reaction 1794 rate-constant: {A: 3.0e+06, b: 2.0, Ea: -239.01} - equation: C8H142-6 + OH <=> C8H132-6,SA + H2O # Reaction 1795 rate-constant: {A: 6.3e+06, b: 2.0, Ea: -1434.03} - equation: C8H142-6 + OH <=> C8H132-6,PA + H2O # Reaction 1796 rate-constant: {A: 6.0e+06, b: 2.0, Ea: -239.01} - equation: C8H141-5,3-4 + HO2 <=> C8H131-5,3-4,TA + H2O2 # Reaction 1797 rate-constant: {A: 3.2e+04, b: 2.6, Ea: 1.075526e+04} - equation: C8H141-5,3 + HO2 <=> C8H131-5,3,TA + H2O2 # Reaction 1798 rate-constant: {A: 1.6e+04, b: 2.6, Ea: 1.075526e+04} - equation: C8H141-5,3 + HO2 <=> C8H131-5,3,SA + H2O2 # Reaction 1799 rate-constant: {A: 6300.0, b: 2.6, Ea: 1.24283e+04} - equation: C8H141-5,3 + HO2 <=> C8H131-5,3,PA + H2O2 # Reaction 1800 rate-constant: {A: 9500.0, b: 2.6, Ea: 1.386233e+04} - equation: C8H142-6 + HO2 <=> C8H132-6,SA + H2O2 # Reaction 1801 rate-constant: {A: 1.3e+04, b: 2.6, Ea: 1.24283e+04} - equation: C8H142-6 + HO2 <=> C8H132-6,PA + H2O2 # Reaction 1802 rate-constant: {A: 1.9e+04, b: 2.6, Ea: 1.386233e+04} - equation: C8H141-5,3-4 + H <=> C8H131-5,3-4,TA + H2 # Reaction 1803 rate-constant: {A: 5.0e+04, b: 2.5, Ea: -2868.07} - equation: C8H141-5,3 + H <=> C8H131-5,3,TA + H2 # Reaction 1804 rate-constant: {A: 2.5e+04, b: 2.5, Ea: -2868.07} - equation: C8H141-5,3 + H <=> C8H131-5,3,SA + H2 # Reaction 1805 rate-constant: {A: 5.0e+04, b: 2.5, Ea: -1673.04} - equation: C8H141-5,3 + H <=> C8H131-5,3,PA + H2 # Reaction 1806 rate-constant: {A: 1.9e+05, b: 2.5, Ea: 2390.06} - equation: C8H142-6 + H <=> C8H132-6,SA + H2 # Reaction 1807 rate-constant: {A: 1.0e+05, b: 2.5, Ea: -1673.04} - equation: C8H142-6 + H <=> C8H132-6,PA + H2 # Reaction 1808 rate-constant: {A: 3.8e+05, b: 2.5, Ea: 2390.06} - equation: C8H141-5,3-4 + O <=> C8H131-5,3-4,TA + OH # Reaction 1809 rate-constant: {A: 6.3e+10, b: 0.7, Ea: 1195.03} - equation: C8H141-5,3 + O <=> C8H131-5,3,TA + OH # Reaction 1810 rate-constant: {A: 3.2e+10, b: 0.7, Ea: 1195.03} - equation: C8H141-5,3 + O <=> C8H131-5,3,SA + OH # Reaction 1811 rate-constant: {A: 8.0e+10, b: 0.7, Ea: 3107.07} - equation: C8H141-5,3 + O <=> C8H131-5,3,PA + OH # Reaction 1812 rate-constant: {A: 6.3e+10, b: 0.7, Ea: 5975.14} - equation: C8H142-6 + O <=> C8H132-6,SA + OH # Reaction 1813 rate-constant: {A: 1.6e+11, b: 0.7, Ea: 3107.07} - equation: C8H142-6 + O <=> C8H132-6,PA + OH # Reaction 1814 rate-constant: {A: 1.3e+11, b: 0.7, Ea: 5975.14} - equation: C8H141-5,3-4 + CH3 <=> C8H131-5,3-4,TA + CH4 # Reaction 1815 rate-constant: {A: 1.6e+12, b: 0.0, Ea: 5258.13} - equation: C8H141-5,3 + CH3 <=> C8H131-5,3,TA + CH4 # Reaction 1816 rate-constant: {A: 7.9e+11, b: 0.0, Ea: 5258.13} - equation: C8H141-5,3 + CH3 <=> C8H131-5,3,SA + CH4 # Reaction 1817 rate-constant: {A: 1.6e+12, b: 0.0, Ea: 6931.17} - equation: C8H141-5,3 + CH3 <=> C8H131-5,3,PA + CH4 # Reaction 1818 rate-constant: {A: 0.15, b: 3.5, Ea: 5736.14} - equation: C8H142-6 + CH3 <=> C8H132-6,SA + CH4 # Reaction 1819 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 6931.17} - equation: C8H142-6 + CH3 <=> C8H132-6,PA + CH4 # Reaction 1820 rate-constant: {A: 0.3, b: 3.5, Ea: 5736.14} - equation: C8H141-5,3-4 + O2 <=> C8H131-5,3-4,TA + HO2 # Reaction 1821 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 3.542e+04} - equation: C8H141-5,3 + O2 <=> C8H131-5,3,TA + HO2 # Reaction 1822 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 3.542e+04} - equation: C8H141-5,3 + O2 <=> C8H131-5,3,SA + HO2 # Reaction 1823 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.719e+04} - equation: C8H141-5,3 + O2 <=> C8H131-5,3,PA + HO2 # Reaction 1824 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 3.939e+04} - equation: C8H142-6 + O2 <=> C8H132-6,SA + HO2 # Reaction 1825 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.719e+04} - equation: C8H142-6 + O2 <=> C8H132-6,PA + HO2 # Reaction 1826 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.939e+04} - equation: C6H101-3,3 + C2H3 <=> C8H131-5,3-4,TA # Reaction 1827 rate-constant: {A: 4.4e+04, b: 2.48, Ea: 6130.0} - equation: B13DE2M + C3H5-S <=> C8H131-5,3,TA # Reaction 1828 rate-constant: {A: 4.4e+04, b: 2.48, Ea: 6130.0} - equation: C6H10D24 + C2H3 <=> C8H131-5,3,SA # Reaction 1829 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C4H6 + C4H71-3 <=> C8H131-5,3,PA # Reaction 1830 rate-constant: {A: 1300.0, b: 2.48, Ea: 8520.0} - equation: C5H81-3 + C3H5-S <=> C8H132-6,SA # Reaction 1831 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C4H6 + C4H71-3 <=> C8H132-6,PA # Reaction 1832 rate-constant: {A: 1300.0, b: 2.48, Ea: 8520.0} - equation: C6H101-3,3 <=> C2H3 + C4H72-2 # Reaction 1833 rate-constant: {A: 2.5e+15, b: 0.0, Ea: 9.95e+04} - equation: C6H10D24 <=> C3H5-S + C3H5-S # Reaction 1834 rate-constant: {A: 2.5e+15, b: 0.0, Ea: 9.95e+04} - equation: C8H131-5,3-4,TA + HO2 <=> C8H131-5,3-4,TAO + OH # Reaction 1835 rate-constant: {A: 1.64e+04, b: 2.74, Ea: 1144.38} - equation: C8H131-5,3,TA + HO2 <=> C8H131-5,3,TAO + OH # Reaction 1836 rate-constant: {A: 1.64e+04, b: 2.74, Ea: 1144.38} - equation: C8H131-5,3,SA + HO2 <=> C8H131-5,3,SAO + OH # Reaction 1837 rate-constant: {A: 1.64e+04, b: 2.74, Ea: 1144.38} - equation: C8H131-5,3,PA + HO2 <=> C8H131-5,3,PAO + OH # Reaction 1838 rate-constant: {A: 1.64e+04, b: 2.74, Ea: 1144.38} - equation: C8H132-6,SA + HO2 <=> C8H132-6,SAO + OH # Reaction 1839 rate-constant: {A: 1.64e+04, b: 2.74, Ea: 1144.38} - equation: C8H132-6,PA + HO2 <=> C8H132-6,PAO + OH # Reaction 1840 rate-constant: {A: 1.64e+04, b: 2.74, Ea: 1144.38} - equation: C4H71-3 + C2H3COCH3 <=> C8H131-5,3-4,TAO # Reaction 1841 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.009e+04} - equation: C4H71-3 + C2H3COCH3 <=> C8H131-5,3,TAO # Reaction 1842 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.009e+04} - equation: C4H71-3 + SC3H5CHO <=> C8H131-5,3,SAO # Reaction 1843 rate-constant: {A: 3.33e+10, b: 0.0, Ea: 6397.0} - equation: C7H111-5,3,6P + CH2O <=> C8H131-5,3,PAO # Reaction 1844 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 3496.0} - equation: C4H71-3 + SC3H5CHO <=> C8H132-6,SAO # Reaction 1845 rate-constant: {A: 3.33e+10, b: 0.0, Ea: 6397.0} - equation: C7H111-5,1P + CH2O <=> C8H132-6,PAO # Reaction 1846 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 3496.0} - equation: CC5H9-A + C2H2 <=> C7H111-5,3,6P # Reaction 1847 rate-constant: {A: 1.32e+04, b: 2.48, Ea: 6130.0} - equation: C5H92-5 + C2H2 <=> C7H111-5,1P # Reaction 1848 rate-constant: {A: 1.32e+04, b: 2.48, Ea: 6130.0} - equation: C4H71-4 + O2 <=> C4H6 + HO2 # Reaction 1849 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: C4H71-4 + O2 <=> C4H71-4O2 # Reaction 1850 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: C4H71-4 + HO2 <=> C4H7O1-4 + OH # Reaction 1851 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CH3O2 + C4H71-4 <=> CH3O + C4H7O1-4 # Reaction 1852 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + H2 <=> C4H71-4OOH + H # Reaction 1853 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 2.603e+04} - equation: C4H71-4O2 + HO2 <=> C4H71-4OOH + O2 # Reaction 1854 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: C4H71-4O2 + H2O2 <=> C4H71-4OOH + HO2 # Reaction 1855 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C4H71-4O2 + CH4 <=> C4H71-4OOH + CH3 # Reaction 1856 rate-constant: {A: 1.12e+13, b: 0.0, Ea: 2.464e+04} - equation: C4H71-4O2 + CH3OH <=> C4H71-4OOH + CH2OH # Reaction 1857 rate-constant: {A: 6.3e+12, b: 0.0, Ea: 1.936e+04} - equation: C4H71-4O2 + CH2O <=> C4H71-4OOH + HCO # Reaction 1858 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.36e+04} - equation: C4H71-4O2 + C2H6 <=> C4H71-4OOH + C2H5 # Reaction 1859 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H71-4O2 + CH3CHO <=> C4H71-4OOH + CH3CO # Reaction 1860 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: C4H71-4O2 + C2H4 <=> C4H71-4OOH + C2H3 # Reaction 1861 rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3.043e+04} - equation: C4H71-4O2 + C3H6 <=> C4H71-4OOH + C3H5-A # Reaction 1862 rate-constant: {A: 0.0535, b: 4.207, Ea: 1.32881e+04} - equation: C4H71-4O2 + C2H5CHO <=> C4H71-4OOH + C2H5CO # Reaction 1863 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 9500.0} - equation: C4H71-4O2 + C2H3CHO <=> C4H71-4OOH + C2H3CO # Reaction 1864 rate-constant: {A: 2.8e+12, b: 0.0, Ea: 1.36e+04} - equation: C4H71-4O2 + C3H8 <=> C4H71-4OOH + NC3H7 # Reaction 1865 rate-constant: {A: 1.7e+13, b: 0.0, Ea: 2.046e+04} - equation: C4H71-4O2 + C3H8 <=> C4H71-4OOH + IC3H7 # Reaction 1866 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.7e+04} - equation: C4H71-4O2 + CH3 <=> C4H7O1-4 + CH3O # Reaction 1867 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + C2H5 <=> C4H7O1-4 + C2H5O # Reaction 1868 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + IC3H7 <=> C4H7O1-4 + IC3H7O # Reaction 1869 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + NC3H7 <=> C4H7O1-4 + NC3H7O # Reaction 1870 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + C3H5-A <=> C4H7O1-4 + C3H5O # Reaction 1871 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + PC4H9 <=> C4H7O1-4 + PC4H9O # Reaction 1872 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + SC4H9 <=> C4H7O1-4 + SC4H9O # Reaction 1873 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4O2 + C4H71-3 <=> C4H7O1-4 + C4H71-O # Reaction 1874 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: C4H71-4OOH <=> C4H7O1-4 + OH # Reaction 1875 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.25e+04} - equation: C4H71-4O2 + CH3O2 => C4H7O1-4 + CH3O + O2 # Reaction 1876 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 + CH3CO3 => C4H7O1-4 + CH3CO2 + O2 # Reaction 1877 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 + C2H5O2 => C4H7O1-4 + C2H5O + O2 # Reaction 1878 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 + NC3H7O2 => C4H7O1-4 + NC3H7O + O2 # Reaction 1879 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 + IC3H7O2 => C4H7O1-4 + IC3H7O + O2 # Reaction 1880 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 + C4H71-4O2 => C4H7O1-4 + C4H7O1-4 + O2 # Reaction 1881 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 + SC4H9O2 => C4H7O1-4 + SC4H9O + O2 # Reaction 1882 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C4H71-4O2 <=> C4H61-3OOH4 # Reaction 1883 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C4H61-3OOH4 <=> C2H3CHOCH2 + OH # Reaction 1884 rate-constant: {A: 1.71e+09, b: 1.06, Ea: 1.09e+04} - equation: C4H61-3OOH4 <=> C4H6O25 + OH # Reaction 1885 rate-constant: {A: 1.72e+08, b: 0.76, Ea: 1.11e+04} - equation: C2H3CHOCH2 + H => C2H3 + CH2CO + H2 # Reaction 1886 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C2H3CHOCH2 + O => C2H3 + CH2CO + OH # Reaction 1887 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C2H3CHOCH2 + OH => C2H3 + CH2CO + H2O # Reaction 1888 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C2H3CHOCH2 + HO2 => C2H3 + CH2CO + H2O2 # Reaction 1889 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C2H3CHOCH2 + CH3 => C2H3 + CH2CO + CH4 # Reaction 1890 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C2H3CHOCH2 + CH3O2 => C2H3 + CH2CO + CH3O2H # Reaction 1891 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C4H6O25 + H <=> CH2CHCHCHO + H2 # Reaction 1892 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H6O25 + O <=> CH2CHCHCHO + OH # Reaction 1893 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H6O25 + OH <=> CH2CHCHCHO + H2O # Reaction 1894 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H6O25 + HO2 <=> CH2CHCHCHO + H2O2 # Reaction 1895 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C4H6O25 + CH3 <=> CH2CHCHCHO + CH4 # Reaction 1896 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: C4H6O25 + CH3O2 <=> CH2CHCHCHO + CH3O2H # Reaction 1897 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: C4H61-3OOH4 + HO2 <=> C4H6O1-3OOH4 + OH # Reaction 1898 rate-constant: {A: 4100.0, b: 2.74, Ea: 1144.4} - equation: C4H61-3OOH4 + HO2 <=> C4H6O2-1OOH4 + OH # Reaction 1899 rate-constant: {A: 4100.0, b: 2.74, Ea: 1144.4} - equation: C4H6O1-3OOH4 <=> C2H3CHO + CH2O + OH # Reaction 1900 rate-constant: {A: 6.7e+39, b: -8.38, Ea: 2.2782e+04} - equation: C4H6O1-3OOH4 <=> C2H3 + HO2CH2CHO # Reaction 1901 rate-constant: {A: 2.67e+34, b: -6.63, Ea: 2.2672e+04} - equation: C4H71-1 + O2 <=> C4H71-1O2 # Reaction 1902 rate-constant: {A: 4.07e+27, b: -4.67, Ea: 5222.0} - equation: C4H71-1O2 <=> C3H6CHO-3 + O # Reaction 1903 rate-constant: {A: 1.22e+29, b: -4.71, Ea: 4.234e+04} - equation: C4H71-1O2 <=> C2H5CHCO + OH # Reaction 1904 rate-constant: {A: 1.55e+24, b: -3.87, Ea: 4.985e+04} - equation: C4H71-2 + O2 <=> C4H71-2O2 # Reaction 1905 rate-constant: {A: 4.07e+27, b: -4.67, Ea: 5222.0} - equation: C4H71-2O2 <=> C2H5COCH2 + O # Reaction 1906 rate-constant: {A: 1.22e+29, b: -4.71, Ea: 4.234e+04} - equation: C4H72-2 + O2 <=> C4H72-2O2 # Reaction 1907 rate-constant: {A: 4.07e+27, b: -4.67, Ea: 5222.0} - equation: C4H72-2O2 <=> CH3CHCOCH3 + O # Reaction 1908 rate-constant: {A: 1.22e+29, b: -4.71, Ea: 4.234e+04} - equation: C4H8-1 + H <=> C2H4 + C2H5 # Reaction 1909 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 2.55e+06, b: 1.93, Ea: 5564.0} - {P: 0.01 atm, A: 5.56e+06, b: 1.83, Ea: 5802.0} - {P: 0.1 atm, A: 1.21e+09, b: 1.18, Ea: 7472.0} - {P: 1.0 atm, A: 9.47e+16, b: -1.03, Ea: 1.3413e+04} - {P: 10.0 atm, A: 4.5e+28, b: -4.24, Ea: 2.3618e+04} - {P: 100.0 atm, A: 7.02e+32, b: -5.22, Ea: 3.1754e+04} - equation: C4H8-1 + H <=> C2H4 + C2H5 # Reaction 1910 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 3.45e+07, b: 1.81, Ea: 2263.0} - {P: 0.01 atm, A: 8.06e+07, b: 1.71, Ea: 2522.0} - {P: 0.1 atm, A: 1.18e+10, b: 1.1, Ea: 4077.0} - {P: 1.0 atm, A: 6.02e+15, b: -0.49, Ea: 8452.0} - {P: 10.0 atm, A: 7.58e+21, b: -2.14, Ea: 1.4245e+04} - {P: 100.0 atm, A: 2.29e+21, b: -1.87, Ea: 1.7243e+04} - equation: C4H8-1 + H <=> C3H6 + CH3 # Reaction 1911 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 7.83e+09, b: 1.17, Ea: 1442.0} - {P: 0.01 atm, A: 3.39e+10, b: 1.0, Ea: 1895.0} - {P: 0.1 atm, A: 3.7e+13, b: 0.14, Ea: 4127.0} - {P: 1.0 atm, A: 4.57e+19, b: -1.54, Ea: 9061.0} - {P: 10.0 atm, A: 8.57e+23, b: -2.66, Ea: 1.414e+04} - {P: 100.0 atm, A: 1.32e+20, b: -1.46, Ea: 1.5383e+04} - equation: C4H8-1 + H <=> C3H6 + CH3 # Reaction 1912 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.8e+06, b: 1.76, Ea: 5900.0} - {P: 0.01 atm, A: 3.46e+06, b: 1.68, Ea: 6100.0} - {P: 0.1 atm, A: 4.02e+08, b: 1.1, Ea: 7574.0} - {P: 1.0 atm, A: 1.21e+16, b: -0.99, Ea: 1.3175e+04} - {P: 10.0 atm, A: 7.14e+27, b: -4.23, Ea: 2.3319e+04} - {P: 100.0 atm, A: 1.0e+33, b: -5.49, Ea: 3.1922e+04} - equation: C4H8-1 + H <=> PC4H9 # Reaction 1913 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.35e+15, b: -2.81, Ea: 1570.0} - {P: 0.01 atm, A: 5.2e+16, b: -2.97, Ea: 1992.0} - {P: 0.1 atm, A: 1.91e+21, b: -3.97, Ea: 4636.0} - {P: 1.0 atm, A: 1.9e+31, b: -6.46, Ea: 1.1968e+04} - {P: 10.0 atm, A: 2.1e+40, b: -8.6, Ea: 2.1058e+04} - {P: 100.0 atm, A: 1.44e+37, b: -7.21, Ea: 2.4896e+04} - equation: C4H8-1 + H <=> PC4H9 # Reaction 1914 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 4.33e+20, b: -4.16, Ea: -263.0} - {P: 0.01 atm, A: 1.78e+22, b: -4.33, Ea: 186.0} - {P: 0.1 atm, A: 1.98e+26, b: -5.18, Ea: 2518.0} - {P: 1.0 atm, A: 3.78e+32, b: -6.63, Ea: 7265.0} - {P: 10.0 atm, A: 8.79e+34, b: -6.91, Ea: 1.0952e+04} - {P: 100.0 atm, A: 7.8e+28, b: -4.79, Ea: 1.0355e+04} - equation: C4H8-1 + H <=> SC4H9 # Reaction 1915 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 4.07e+22, b: -4.51, Ea: -771.0} - {P: 0.01 atm, A: 3.9e+24, b: -4.78, Ea: -34.0} - {P: 0.1 atm, A: 2.03e+29, b: -5.81, Ea: 2970.0} - {P: 1.0 atm, A: 3.53e+34, b: -6.95, Ea: 7525.0} - {P: 10.0 atm, A: 1.19e+34, b: -6.42, Ea: 9810.0} - {P: 100.0 atm, A: 1.37e+26, b: -3.79, Ea: 8012.0} - equation: C4H8-1 + H <=> SC4H9 # Reaction 1916 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 3.52e+12, b: -2.15, Ea: 1466.0} - {P: 0.01 atm, A: 1.02e+14, b: -2.28, Ea: 1799.0} - {P: 0.1 atm, A: 1.16e+18, b: -3.13, Ea: 4049.0} - {P: 1.0 atm, A: 5.22e+27, b: -5.53, Ea: 1.0963e+04} - {P: 10.0 atm, A: 4.33e+37, b: -7.92, Ea: 2.0354e+04} - {P: 100.0 atm, A: 2.22e+36, b: -7.06, Ea: 2.5203e+04} - equation: C4H8-2 + H <=> C2H4 + C2H5 # Reaction 1917 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.96e+06, b: 1.86, Ea: 6209.0} - {P: 0.01 atm, A: 1.92e+07, b: 1.77, Ea: 6443.0} - {P: 0.1 atm, A: 3.97e+09, b: 1.11, Ea: 8097.0} - {P: 1.0 atm, A: 3.01e+17, b: -1.09, Ea: 1.4023e+04} - {P: 10.0 atm, A: 1.88e+29, b: -4.33, Ea: 2.4297e+04} - {P: 100.0 atm, A: 5.15e+33, b: -5.39, Ea: 3.2601e+04} - equation: C4H8-2 + H <=> C3H6 + CH3 # Reaction 1918 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 6.39e+09, b: 1.29, Ea: 1834.0} - {P: 0.01 atm, A: 2.6e+10, b: 1.12, Ea: 2267.0} - {P: 0.1 atm, A: 2.48e+13, b: 0.29, Ea: 4456.0} - {P: 1.0 atm, A: 2.91e+19, b: -1.39, Ea: 9365.0} - {P: 10.0 atm, A: 6.13e+23, b: -2.53, Ea: 1.4463e+04} - {P: 100.0 atm, A: 1.23e+20, b: -1.35, Ea: 1.5762e+04} - equation: C4H8-2 + H <=> PC4H9 # Reaction 1919 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.9e+14, b: -2.55, Ea: 1729.0} - {P: 0.01 atm, A: 1.41e+16, b: -2.71, Ea: 2133.0} - {P: 0.1 atm, A: 4.31e+20, b: -3.69, Ea: 4719.0} - {P: 1.0 atm, A: 4.03e+30, b: -6.17, Ea: 1.202e+04} - {P: 10.0 atm, A: 5.19e+39, b: -8.33, Ea: 2.1137e+04} - {P: 100.0 atm, A: 5.17e+36, b: -6.98, Ea: 2.5063e+04} - equation: C4H8-2 + H <=> SC4H9 # Reaction 1920 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.34e+21, b: -4.21, Ea: -602.0} - {P: 0.01 atm, A: 6.79e+23, b: -4.46, Ea: 82.0} - {P: 0.1 atm, A: 2.85e+28, b: -5.47, Ea: 3003.0} - {P: 1.0 atm, A: 5.45e+33, b: -6.61, Ea: 7559.0} - {P: 10.0 atm, A: 2.33e+33, b: -6.11, Ea: 9893.0} - {P: 100.0 atm, A: 3.27e+25, b: -3.51, Ea: 8145.0} - equation: C4H8-1 + H <=> C4H8-2 + H # Reaction 1921 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 2.98e+07, b: 1.86, Ea: 3575.0} - {P: 0.01 atm, A: 6.11e+07, b: 1.77, Ea: 3794.0} - {P: 0.1 atm, A: 4.78e+09, b: 1.24, Ea: 5152.0} - {P: 1.0 atm, A: 1.02e+15, b: -0.25, Ea: 9233.0} - {P: 10.0 atm, A: 6.51e+20, b: -1.82, Ea: 1.4806e+04} - {P: 100.0 atm, A: 4.44e+19, b: -1.37, Ea: 1.7409e+04} - equation: C4H8-1 + H <=> C4H8-2 + H # Reaction 1922 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 1.0e-03 atm, A: 1.55e+04, b: 2.32, Ea: 7049.0} - {P: 0.01 atm, A: 2.36e+04, b: 2.27, Ea: 7177.0} - {P: 0.1 atm, A: 6.6e+05, b: 1.86, Ea: 8201.0} - {P: 1.0 atm, A: 1.15e+12, b: 0.11, Ea: 1.2789e+04} - {P: 10.0 atm, A: 8.8e+23, b: -3.17, Ea: 2.2546e+04} - {P: 100.0 atm, A: 3.72e+31, b: -5.16, Ea: 3.2234e+04} - equation: SC4H9 <=> PC4H9 # Reaction 1923 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 9.6e+37, b: -11.04, Ea: 3.884e+04} - {P: 0.01 atm, A: 6.05e+40, b: -11.26, Ea: 3.9461e+04} - {P: 0.1 atm, A: 1.64e+47, b: -12.49, Ea: 4.3112e+04} - {P: 1.0 atm, A: 6.53e+55, b: -14.27, Ea: 5.0351e+04} - {P: 10.0 atm, A: 2.13e+56, b: -13.71, Ea: 5.4866e+04} - {P: 100.0 atm, A: 6.02e+45, b: -10.07, Ea: 5.3399e+04} - equation: PC4H9 <=> C2H4 + C2H5 # Reaction 1924 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.44e+34, b: -8.1, Ea: 2.8397e+04} - {P: 0.01 atm, A: 1.11e+39, b: -9.05, Ea: 3.1891e+04} - {P: 0.1 atm, A: 7.74e+42, b: -9.78, Ea: 3.5771e+04} - {P: 1.0 atm, A: 7.47e+43, b: -9.67, Ea: 3.8722e+04} - {P: 10.0 atm, A: 2.06e+39, b: -7.97, Ea: 3.8955e+04} - {P: 100.0 atm, A: 1.48e+29, b: -4.71, Ea: 3.595e+04} - equation: PC4H9 <=> C3H6 + CH3 # Reaction 1925 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 3.71e+25, b: -5.81, Ea: 3.4965e+04} - {P: 0.01 atm, A: 1.85e+27, b: -6.01, Ea: 3.5481e+04} - {P: 0.1 atm, A: 2.46e+32, b: -7.16, Ea: 3.8637e+04} - {P: 1.0 atm, A: 2.05e+42, b: -9.61, Ea: 4.6415e+04} - {P: 10.0 atm, A: 4.98e+48, b: -10.97, Ea: 5.4456e+04} - {P: 100.0 atm, A: 2.23e+42, b: -8.68, Ea: 5.6601e+04} - equation: SC4H9 <=> C2H4 + C2H5 # Reaction 1926 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 8.3e+25, b: -5.75, Ea: 3.9343e+04} - {P: 0.01 atm, A: 4.12e+27, b: -5.94, Ea: 3.9859e+04} - {P: 0.1 atm, A: 5.57e+32, b: -7.1, Ea: 4.3029e+04} - {P: 1.0 atm, A: 4.54e+42, b: -9.54, Ea: 5.0839e+04} - {P: 10.0 atm, A: 1.06e+49, b: -10.9, Ea: 5.8899e+04} - {P: 100.0 atm, A: 9.94e+42, b: -8.7, Ea: 6.1203e+04} - equation: SC4H9 <=> C3H6 + CH3 # Reaction 1927 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0e-03 atm, A: 2.89e+40, b: -9.76, Ea: 3.3601e+04} - {P: 0.01 atm, A: 1.8e+44, b: -10.5, Ea: 3.7007e+04} - {P: 0.1 atm, A: 2.51e+46, b: -10.73, Ea: 4.0237e+04} - {P: 1.0 atm, A: 4.74e+44, b: -9.85, Ea: 4.1841e+04} - {P: 10.0 atm, A: 3.79e+37, b: -7.44, Ea: 4.0604e+04} - {P: 100.0 atm, A: 4.79e+26, b: -4.01, Ea: 3.6898e+04} - equation: C4H71-1OH + H <=> PC4H8OH-1 # Reaction 1928 rate-constant: {A: 4.26795e+12, b: 0.492750689836, Ea: 4444.57662661} - equation: NC3H7CHO + H <=> PC4H8OH-1 # Reaction 1929 rate-constant: {A: 9.8e+10, b: 1.19205556992, Ea: 8785.56579046} - equation: C2H3OH + C2H5 <=> PC4H8OH-1 # Reaction 1930 rate-constant: {A: 3.0e+06, b: 1.83442276698, Ea: 7337.92313844} - equation: C4H8-1 + OH <=> PC4H8OH-2 # Reaction 1931 rate-constant: {A: 2.1e+06, b: 1.80584359239, Ea: -3292.33399357} - equation: C4H71-1OH + H <=> PC4H8OH-2 # Reaction 1932 rate-constant: {A: 1.6e+10, b: 1.11403297478, Ea: 4389.23773366} - equation: C4H72-1OH + H <=> PC4H8OH-2 # Reaction 1933 rate-constant: {A: 2.7e+11, b: -0.13433162413, Ea: 1584.65884108} - equation: C3H6 + CH2OH <=> PC4H8OH-3 # Reaction 1934 rate-constant: {A: 7000.0, b: 2.42680725691, Ea: 7063.51429494} - equation: C4H71-4OH + H <=> PC4H8OH-3 # Reaction 1935 rate-constant: {A: 1.5e+11, b: 0.882811615103, Ea: 2750.6293851} - equation: SC4H8OH-1 <=> PC4H8OH-3 # Reaction 1936 rate-constant: {A: 2.9e+08, b: 1.37714323923, Ea: 3.78659705441e+04} - equation: C3H6 + CH2OH <=> PC4H8OH-4 # Reaction 1937 rate-constant: {A: 7000.0, b: 2.42680725691, Ea: 7063.51429494} - equation: C4H71-4OH + H <=> PC4H8OH-4 # Reaction 1938 rate-constant: {A: 1.5e+11, b: 0.882811615103, Ea: 2750.6293851} - equation: SC4H8OH-1 <=> PC4H8OH-4 # Reaction 1939 rate-constant: {A: 2.9e+08, b: 1.37714323923, Ea: 3.78659705441e+04} - equation: NC3H7CHO + H <=> PC4H9O # Reaction 1940 rate-constant: {A: 4.7e+09, b: 1.43469379654, Ea: 4357.89006048} - equation: NC3H7 + CH2O <=> PC4H9O # Reaction 1941 rate-constant: {A: 5000.0, b: 2.42516348674, Ea: 3238.89516311} - equation: C4H71-2OH + H <=> SC4H8OH-2 # Reaction 1942 rate-constant: {A: 1.4e+08, b: 1.51550214631, Ea: 218.841417907} - equation: C2H5COCH3 + H <=> SC4H8OH-2 # Reaction 1943 rate-constant: {A: 7.0e+07, b: 1.80134205573, Ea: 1.32231219633e+04} - equation: C4H8-1 + OH <=> SC4H8OH-1 # Reaction 1944 rate-constant: {A: 7.0e+05, b: 1.80188194674, Ea: -3290.2438057} - equation: C2H3OH + C2H5 <=> SC4H8OH-1 # Reaction 1945 rate-constant: {A: 6.4e+06, b: 1.67089578771, Ea: 1.02702427563e+04} - equation: C4H8-2 + OH <=> SC4H8OH-3 # Reaction 1946 rate-constant: {A: 1.4e+06, b: 1.80188194674, Ea: -3290.2438057} - equation: SC3H5OH + CH3 <=> SC4H8OH-3 # Reaction 1947 rate-constant: {A: 6.4e+06, b: 1.67089578771, Ea: 1.02702427563e+04} - equation: C2H5COCH3 + H <=> SC4H9O # Reaction 1948 rate-constant: {A: 2.7e+07, b: 1.75632567406, Ea: 6206.15193212} - equation: C2H5CHO + CH3 <=> SC4H9O # Reaction 1949 rate-constant: {A: 1.2e+04, b: 2.28382558988, Ea: 7978.10227873} - equation: C4H71-4OH + OH <=> C4H64,2-1OH + H2O # Reaction 1950 rate-constant: {A: 2.02e+06, b: 2.2, Ea: -437.2} - equation: C4H71-4OH + HO2 <=> C4H64,2-1OH + H2O2 # Reaction 1951 rate-constant: {A: 0.391, b: 3.97, Ea: 1.1702e+04} - equation: PC4H8OH-2 + O2 <=> PC4H8OH-2O2 # Reaction 1952 rate-constant: {A: 3.6e+12, b: 0.0, Ea: 0.0} - equation: PC4H8OH-2O2 <=> SQC4H8OP # Reaction 1953 rate-constant: {A: 2.91e+12, b: -0.226, Ea: 2.23e+04} - equation: PC4H8OH-2O2 <=> C4H72-1OH + HO2 # Reaction 1954 rate-constant: {A: 3.64e+14, b: -0.711, Ea: 3.271e+04} - equation: PC4H8OH-2O2 <=> C4H71-1OH + HO2 # Reaction 1955 rate-constant: {A: 2.44e+13, b: -0.253, Ea: 3.259e+04} - equation: SQC4H8OP => C2H5CHO + CH2O + OH # Reaction 1956 rate-constant: {A: 5.36e+12, b: -0.08, Ea: 1.079e+04} - equation: PC4H8OH-2O2 <=> NC4KET21OH + OH # Reaction 1957 rate-constant: {A: 1.49e+09, b: 0.109, Ea: 4.139e+04} - equation: C4H72-1OH + OH <=> C4H64,2-1OH + H2O # Reaction 1958 rate-constant: {A: 2.02e+06, b: 2.2, Ea: -436.92} - equation: C4H72-1OH + OH <=> C4H63,1-1OH + H2O # Reaction 1959 rate-constant: {A: 2.69e+06, b: 2.2, Ea: -436.92} - equation: C4H72-1OH + HO2 <=> C4H64,2-1OH + H2O2 # Reaction 1960 rate-constant: {A: 0.1725, b: 4.0, Ea: 1.2103e+04} - equation: C4H72-1OH + HO2 <=> C4H63,1-1OH + H2O2 # Reaction 1961 rate-constant: {A: 0.23, b: 4.0, Ea: 1.2103e+04} - equation: C4H71-1OH + OH <=> C4H63,1-1OH + H2O # Reaction 1962 rate-constant: {A: 2.02e+06, b: 2.2, Ea: -437.2} - equation: C4H71-1OH + HO2 <=> C4H63,1-1OH + H2O2 # Reaction 1963 rate-constant: {A: 0.391, b: 3.97, Ea: 1.1702e+04} - equation: C4H64,2-1OH <=> C4H6 + OH # Reaction 1964 rate-constant: {A: 7.035e+16, b: -1.012, Ea: 3.607e+04} - equation: C4H63,1-1OH <=> C4H5OH-13 + H # Reaction 1965 rate-constant: {A: 7.722e+12, b: 0.488, Ea: 4.394e+04} - equation: C4H5OH-13 <=> C4H5-N + OH # Reaction 1966 rate-constant: {A: 5.61e+21, b: -1.612, Ea: 1.06e+05} - equation: C4H5OH-13 <=> C2H3 + CH2CHO # Reaction 1967 rate-constant: {A: 2.816e+24, b: -2.381, Ea: 9.013e+04} - equation: NC4KET21OH + OH <=> C2H4COCH2OH + H2O # Reaction 1968 rate-constant: {A: 8.45e+11, b: 0.0, Ea: -228.0} - equation: NC4KET21OH + HO2 <=> C2H4COCH2OH + H2O2 # Reaction 1969 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 8698.0} - equation: NC4KET21OH + O <=> C2H4COCH2OH + OH # Reaction 1970 rate-constant: {A: 3.07e+13, b: 0.0, Ea: 3400.0} - equation: NC4KET21OH + H <=> C2H4COCH2OH + H2 # Reaction 1971 rate-constant: {A: 4.46e+06, b: 2.0, Ea: 3200.0} - equation: NC4KET21OH + O2 <=> C2H4COCH2OH + HO2 # Reaction 1972 rate-constant: {A: 1.55e+13, b: 0.0, Ea: 4.197e+04} - equation: NC4KET21OH + CH3 <=> C2H4COCH2OH + CH4 # Reaction 1973 rate-constant: {A: 1.74, b: 3.46, Ea: 3680.0} - equation: NC4KET21OH + CH3O <=> C2H4COCH2OH + CH3OH # Reaction 1974 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 2771.0} - equation: NC4KET21OH + CH3O2 <=> C2H4COCH2OH + CH3O2H # Reaction 1975 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.525e+04} - equation: NC4KET21OH + C2H3 <=> C2H4COCH2OH + C2H4 # Reaction 1976 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 3400.0} - equation: NC4KET21OH + C2H5 <=> C2H4COCH2OH + C2H6 # Reaction 1977 rate-constant: {A: 3.0e+10, b: 0.0, Ea: 8600.0} - equation: C2H4COCH2OH <=> CH3CHCO + CH2OH # Reaction 1978 rate-constant: {A: 9.44e+29, b: -4.93, Ea: 3.833e+04} - equation: PC4H8OH-2O2 <=> SQC4H7OHP-4 # Reaction 1979 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: SQC4H7OHP-4 <=> CY(CCCO)COH + OH # Reaction 1980 rate-constant: {A: 2.44e+09, b: 0.78, Ea: 1.8e+04} - equation: SQC4H7OHP-4 => OH + HOCH2CHO + C2H4 # Reaction 1981 rate-constant: {A: 3.08e+08, b: 1.5, Ea: 2.35e+04} - equation: CY(CCCO)COH + H => C2H4 + HOCH2CO + H2 # Reaction 1982 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CY(CCCO)COH + O => C2H4 + HOCH2CO + OH # Reaction 1983 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CY(CCCO)COH + OH => C2H4 + HOCH2CO + H2O # Reaction 1984 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CY(CCCO)COH + HO2 => C2H4 + HOCH2CO + H2O2 # Reaction 1985 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CY(CCCO)COH + CH3 => C2H4 + HOCH2CO + CH4 # Reaction 1986 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CY(CCCO)COH + CH3O2 => C2H4 + HOCH2CO + CH3O2H # Reaction 1987 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: CY(CCCO)COH + H => CH2O + CH2CCH2OH + H2 # Reaction 1988 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CY(CCCO)COH + O => CH2O + CH2CCH2OH + OH # Reaction 1989 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CY(CCCO)COH + OH => CH2O + CH2CCH2OH + H2O # Reaction 1990 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CY(CCCO)COH + HO2 => CH2O + CH2CCH2OH + H2O2 # Reaction 1991 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CY(CCCO)COH + CH3 => CH2O + CH2CCH2OH + CH4 # Reaction 1992 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CY(CCCO)COH + CH3O2 => CH2O + CH2CCH2OH + CH3O2H # Reaction 1993 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: HOCH2CO <=> CH2OH + CO # Reaction 1994 rate-constant: {A: 1.07e+12, b: 0.63, Ea: 1.69e+04} - equation: SQC4H7OHP-4 + O2 <=> SQC4H7OHP-4O2 # Reaction 1995 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: SQC4H7OHP-4O2 <=> C4H6OHOOH1-4-3 + HO2 # Reaction 1996 rate-constant: {A: 1.44e+07, b: 1.38, Ea: 2.89e+04} - equation: SQC4H7OHP-4O2 <=> NC4KET24OH-1 + OH # Reaction 1997 rate-constant: {A: 57.9, b: 2.9, Ea: 1.7e+04} - equation: C4H6OHOOH1-4-3 => C2H3CHO + CH2OH + OH # Reaction 1998 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C4H6OHOOH1-4-3 => HOCH2CHO + C2H3 + OH # Reaction 1999 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: NC4KET24OH-1 => CH2O + HOCH2COCH2 + OH # Reaction 2000 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: HOCH2CHO + O2 <=> HOCH2CO + HO2 # Reaction 2001 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04} - equation: HOCH2CHO + O <=> HOCH2CO + OH # Reaction 2002 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: HOCH2CHO + H <=> HOCH2CO + H2 # Reaction 2003 rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0} - equation: HOCH2CHO + OH <=> HOCH2CO + H2O # Reaction 2004 rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0} - equation: HOCH2CHO + HO2 <=> HOCH2CO + H2O2 # Reaction 2005 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: HOCH2CHO + CH3 <=> HOCH2CO + CH4 # Reaction 2006 rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0} - equation: HOCH2CHO + CH3O2 <=> HOCH2CO + CH3O2H # Reaction 2007 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: HOCH2CHO + CH3CO3 <=> HOCH2CO + CH3CO3H # Reaction 2008 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: SC4H8OH-1 + O2 <=> SC4H8OH-1O2 # Reaction 2009 rate-constant: {A: 3.6e+12, b: 0.0, Ea: 0.0} - equation: SC4H8OH-1O2 <=> PQC4H8OS # Reaction 2010 rate-constant: {A: 9.3e+10, b: -0.036, Ea: 2.289e+04} - equation: SC4H8OH-1O2 <=> NC4KET12OH + OH # Reaction 2011 rate-constant: {A: 1.49e+09, b: 0.109, Ea: 4.139e+04} - equation: PQC4H8OS => C2H5CHO + CH2O + OH # Reaction 2012 rate-constant: {A: 6.7e+39, b: -8.38, Ea: 2.2782e+04} - equation: PQC4H8OS => C2H5 + HO2CH2CHO # Reaction 2013 rate-constant: {A: 2.67e+34, b: -6.63, Ea: 2.2672e+04} - equation: SC4H8OH-1O2 <=> C4H71-2OH + HO2 # Reaction 2014 rate-constant: {A: 2.44e+13, b: -0.253, Ea: 3.259e+04} - equation: SC4H8OH-1O2 <=> PQC4H7OHS-3 # Reaction 2015 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: PQC4H7OHS-3 <=> CCY(COCC)OH + OH # Reaction 2016 rate-constant: {A: 2.59e+09, b: 0.69, Ea: 1.6e+04} - equation: PQC4H7OHS-3 => OH + CH2O + SC3H5OH # Reaction 2017 rate-constant: {A: 1.23e+09, b: 1.3, Ea: 2.49e+04} - equation: C4H71-2OH + OH <=> C4H63,1-2OH + H2O # Reaction 2018 rate-constant: {A: 2.02e+06, b: 2.2, Ea: -437.2} - equation: C4H71-2OH + HO2 <=> C4H63,1-2OH + H2O2 # Reaction 2019 rate-constant: {A: 0.391, b: 3.97, Ea: 1.1702e+04} - equation: C4H63,1-2OH <=> C4H612 + OH # Reaction 2020 rate-constant: {A: 7.035e+16, b: -1.012, Ea: 3.607e+04} - equation: NC4KET12OH + H <=> C2H5CHOHCO + H2 # Reaction 2021 rate-constant: {A: 1.0e+05, b: 2.58, Ea: 1220.0} - equation: NC4KET12OH + OH <=> C2H5CHOHCO + H2O # Reaction 2022 rate-constant: {A: 1.7e+12, b: 0.0, Ea: -619.0} - equation: NC4KET12OH + O <=> C2H5CHOHCO + OH # Reaction 2023 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: NC4KET12OH + HO2 <=> C2H5CHOHCO + H2O2 # Reaction 2024 rate-constant: {A: 9500.0, b: 2.7, Ea: 1.152e+04} - equation: NC4KET12OH + CH3 <=> C2H5CHOHCO + CH4 # Reaction 2025 rate-constant: {A: 1.42e-03, b: 4.58, Ea: 1966.0} - equation: NC4KET12OH + C2H5 <=> C2H5CHOHCO + C2H6 # Reaction 2026 rate-constant: {A: 7.36e+04, b: 2.0, Ea: 5917.09} - equation: NC4KET12OH + CH3O <=> C2H5CHOHCO + CH3OH # Reaction 2027 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 3300.0} - equation: NC4KET12OH + CH3O2 <=> C2H5CHOHCO + CH3O2H # Reaction 2028 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: NC4KET12OH + O2 <=> C2H5CHOHCO + HO2 # Reaction 2029 rate-constant: {A: 9.03e+13, b: 0.0, Ea: 4.332e+04} - equation: NC4KET12OH + C2H3 <=> C2H5CHOHCO + C2H4 # Reaction 2030 rate-constant: {A: 3.256e+05, b: 2.0, Ea: 3965.69} - equation: NC4KET12OH + C2H5O <=> C2H5CHOHCO + C2H5OH # Reaction 2031 rate-constant: {A: 6.03e+11, b: 0.0, Ea: 3300.0} - equation: C2H5CHOHCO <=> C3H6OH1-1 + CO # Reaction 2032 rate-constant: {A: 5.78e+14, b: 0.0, Ea: 1.684351e+04} - equation: C3H6OH1-1 <=> C2H5CHO + H # Reaction 2033 rate-constant: {A: 8.981e+11, b: 0.271, Ea: 3.299e+04} - equation: C2H3OH + CH3 <=> C3H6OH1-1 # Reaction 2034 rate-constant: {A: 2.04e+40, b: -8.25, Ea: 2.4214e+04} duplicate: true - equation: C2H3OH + CH3 <=> C3H6OH1-1 # Reaction 2035 rate-constant: {A: 1.66e+21, b: -3.17, Ea: 1.0241e+04} duplicate: true - equation: CCY(COCC)OH + H => OH + C2H3COCH3 + H2 # Reaction 2036 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + O => OH + C2H3COCH3 + OH # Reaction 2037 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + OH => OH + C2H3COCH3 + H2O # Reaction 2038 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + HO2 => OH + C2H3COCH3 + H2O2 # Reaction 2039 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CCY(COCC)OH + CH3 => OH + C2H3COCH3 + CH4 # Reaction 2040 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CCY(COCC)OH + CH3O2 => OH + C2H3COCH3 + CH3O2H # Reaction 2041 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: CCY(COCC)OH + H => OH + SC3H5CHO + H2 # Reaction 2042 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + O => OH + SC3H5CHO + OH # Reaction 2043 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + OH => OH + SC3H5CHO + H2O # Reaction 2044 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + HO2 => OH + SC3H5CHO + H2O2 # Reaction 2045 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CCY(COCC)OH + CH3 => OH + SC3H5CHO + CH4 # Reaction 2046 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CCY(COCC)OH + CH3O2 => OH + SC3H5CHO + CH3O2H # Reaction 2047 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: CCY(COCC)OH + H => C2H3OH + CH3CO + H2 # Reaction 2048 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + O => C2H3OH + CH3CO + OH # Reaction 2049 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + OH => C2H3OH + CH3CO + H2O # Reaction 2050 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + HO2 => C2H3OH + CH3CO + H2O2 # Reaction 2051 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CCY(COCC)OH + CH3 => C2H3OH + CH3CO + CH4 # Reaction 2052 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CCY(COCC)OH + CH3O2 => C2H3OH + CH3CO + CH3O2H # Reaction 2053 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: CCY(COCC)OH + H => HCO + SC3H5OH + H2 # Reaction 2054 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + O => HCO + SC3H5OH + OH # Reaction 2055 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + OH => HCO + SC3H5OH + H2O # Reaction 2056 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: CCY(COCC)OH + HO2 => HCO + SC3H5OH + H2O2 # Reaction 2057 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.5e+04} - equation: CCY(COCC)OH + CH3 => HCO + SC3H5OH + CH4 # Reaction 2058 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.0e+04} - equation: CCY(COCC)OH + CH3O2 => HCO + SC3H5OH + CH3O2H # Reaction 2059 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.9e+04} - equation: PQC4H7OHS-3 + O2 <=> PQC4H7OHS-3O2 # Reaction 2060 rate-constant: {A: 1.744e+14, b: -0.816, Ea: -536.5} - equation: PQC4H7OHS-3O2 <=> NC4KET13OH-2 + OH # Reaction 2061 rate-constant: {A: 1.09e+04, b: 2.4, Ea: 1.99e+04} - equation: NC4KET13OH-2 => CH3CHO + HOCHCHO + OH # Reaction 2062 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.3e+04} - equation: PQC4H7OHS-3O2 <=> C4H7O2-1,3OOH # Reaction 2063 rate-constant: {A: 2.91e+12, b: -0.226, Ea: 2.23e+04} - equation: PQC4H7OHS-3O2 <=> C4H6OHOOH1-3-4 + HO2 # Reaction 2064 rate-constant: {A: 3.64e+14, b: -0.711, Ea: 3.271e+04} - equation: PQC4H7OHS-3O2 <=> C4H6OHOOH2-2-1 + HO2 # Reaction 2065 rate-constant: {A: 2.44e+13, b: -0.253, Ea: 3.259e+04} - equation: C4H7O2-1,3OOH => C3KET12 + CH2O + OH # Reaction 2066 rate-constant: {A: 5.36e+12, b: -0.08, Ea: 1.079e+04} - equation: C4H7O2-1,3OOH => HO2CH2CHO + CH3CHO + OH # Reaction 2067 rate-constant: {A: 6.7e+39, b: -8.38, Ea: 2.2782e+04} - equation: PQC4H7OHS-3O2 <=> NC4KET24OH-3 + OH # Reaction 2068 rate-constant: {A: 1.49e+09, b: 0.109, Ea: 4.139e+04} - equation: HOCHCHO + O <=> CHOCHO + OH # Reaction 2069 rate-constant: {A: 1.46e-03, b: 4.73, Ea: 1727.0} - equation: HOCHCHO + OH <=> CHOCHO + H2O # Reaction 2070 rate-constant: {A: 5.81e-03, b: 4.28, Ea: -3560.0} - equation: HOCHCHO + H <=> CHOCHO + H2 # Reaction 2071 rate-constant: {A: 945.0, b: 3.14, Ea: 8701.1} - equation: HOCHCHO + HO2 <=> CHOCHO + H2O2 # Reaction 2072 rate-constant: {A: 6.47e-07, b: 5.3, Ea: 1.05331e+04} - equation: HOCHCHO + CH3 <=> CHOCHO + CH4 # Reaction 2073 rate-constant: {A: 2.035, b: 3.57, Ea: 7721.0} - equation: HOCHCHO + CH3O2 <=> CHOCHO + CH3O2H # Reaction 2074 rate-constant: {A: 3.236e-07, b: 5.3, Ea: 1.05331e+04} - equation: C4H6OHOOH1-3-4 => CH2O + PC3H4OH-3 + OH # Reaction 2075 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C4H6OHOOH2-2-1 => CH2O + PC3H4OH-1 + OH # Reaction 2076 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: NC4KET24OH-3 => CH2O + CH3COCHOH + OH # Reaction 2077 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: PC3H4OH-3 <=> C2H3CHO + H # Reaction 2078 rate-constant: {A: 5.69e+52, b: -13.38, Ea: 4.5049e+04} - equation: PC3H4OH-3 <=> C3H5O # Reaction 2079 rate-constant: {A: 5.48e+45, b: -11.63, Ea: 4.4328e+04} - equation: PC3H4OH-3 <=> CH2CCH2OH # Reaction 2080 rate-constant: {A: 2.65e+36, b: -8.86, Ea: 5.1019e+04} - equation: PC3H4OH-3 + O2 <=> C2H3CHO + HO2 # Reaction 2081 rate-constant: {A: 5.26e+17, b: -1.638, Ea: 869.0} - equation: PC3H4OH-1 <=> CH3CHCO + H # Reaction 2082 rate-constant: {A: 5.69e+52, b: -13.38, Ea: 4.5049e+04} - equation: PC3H4OH-1 <=> PC3H4OH-2 # Reaction 2083 rate-constant: {A: 2.65e+36, b: -8.86, Ea: 5.1019e+04} - equation: PC3H4OH-1 + O2 <=> CH3CHCO + HO2 # Reaction 2084 rate-constant: {A: 5.26e+17, b: -1.638, Ea: 869.0} - equation: CH3COCHOH <=> CH3COCHO + H # Reaction 2085 rate-constant: {A: 5.69e+52, b: -13.38, Ea: 4.5049e+04} - equation: CH3COCHOH <=> CH3COCH2O # Reaction 2086 rate-constant: {A: 5.48e+45, b: -11.63, Ea: 4.4328e+04} - equation: CH3COCHOH + O2 <=> CH3COCHO + HO2 # Reaction 2087 rate-constant: {A: 5.26e+17, b: -1.638, Ea: 869.0} - equation: SC4H8OH-3 + O2 <=> SC4H8OH-3O2 # Reaction 2088 rate-constant: {A: 3.6e+12, b: 0.0, Ea: 0.0} - equation: SC4H8OH-3O2 <=> SQC4H8OS # Reaction 2089 rate-constant: {A: 2.91e+12, b: -0.226, Ea: 2.23e+04} - equation: SC4H8OH-3O2 <=> C4H71-3OH + HO2 # Reaction 2090 rate-constant: {A: 3.64e+14, b: -0.711, Ea: 3.271e+04} - equation: SC4H8OH-3O2 <=> C4H72-2OH + HO2 # Reaction 2091 rate-constant: {A: 2.44e+13, b: -0.253, Ea: 3.259e+04} - equation: SQC4H8OS => CH3CHO + CH3CHO + OH # Reaction 2092 rate-constant: {A: 2.68e+13, b: -0.08, Ea: 1.079e+04} - equation: SC4H8OH-3O2 <=> NC4KET23OH + OH # Reaction 2093 rate-constant: {A: 1.49e+09, b: 0.109, Ea: 4.139e+04} - equation: SC4H8OH-3O2 <=> SQC4H7OHS-4 # Reaction 2094 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: SQC4H7OHS-4 <=> CCY(COCC)OH + OH # Reaction 2095 rate-constant: {A: 2.44e+09, b: 0.78, Ea: 1.8e+04} - equation: SQC4H7OHS-4 => OH + CH3CHO + C2H3OH # Reaction 2096 rate-constant: {A: 3.08e+08, b: 1.5, Ea: 2.35e+04} - equation: C4H71-3OH + OH <=> C4H63,1-3OH + H2O # Reaction 2097 rate-constant: {A: 2.02e+06, b: 2.2, Ea: -437.2} - equation: C4H71-3OH + HO2 <=> C4H63,1-3OH + H2O2 # Reaction 2098 rate-constant: {A: 0.391, b: 3.97, Ea: 1.1702e+04} - equation: C4H72-2OH + OH <=> C4H63,1-3OH + H2O # Reaction 2099 rate-constant: {A: 2.02e+06, b: 2.2, Ea: -437.2} - equation: C4H72-2OH + HO2 <=> C4H63,1-3OH + H2O2 # Reaction 2100 rate-constant: {A: 0.391, b: 3.97, Ea: 1.1702e+04} - equation: C4H63,1-3OH <=> C4H6 + OH # Reaction 2101 rate-constant: {A: 7.035e+16, b: -1.012, Ea: 3.607e+04} - equation: NC4KET23OH + OH <=> CH3COCOHCH3 + H2O # Reaction 2102 rate-constant: {A: 8.45e+11, b: 0.0, Ea: -228.0} - equation: NC4KET23OH + HO2 <=> CH3COCOHCH3 + H2O2 # Reaction 2103 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 8698.0} - equation: NC4KET23OH + O <=> CH3COCOHCH3 + OH # Reaction 2104 rate-constant: {A: 3.07e+13, b: 0.0, Ea: 3400.0} - equation: NC4KET23OH + H <=> CH3COCOHCH3 + H2 # Reaction 2105 rate-constant: {A: 4.46e+06, b: 2.0, Ea: 3200.0} - equation: NC4KET23OH + O2 <=> CH3COCOHCH3 + HO2 # Reaction 2106 rate-constant: {A: 1.55e+13, b: 0.0, Ea: 4.197e+04} - equation: NC4KET23OH + CH3 <=> CH3COCOHCH3 + CH4 # Reaction 2107 rate-constant: {A: 1.74, b: 3.46, Ea: 3680.0} - equation: NC4KET23OH + CH3O <=> CH3COCOHCH3 + CH3OH # Reaction 2108 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 2771.0} - equation: NC4KET23OH + CH3O2 <=> CH3COCOHCH3 + CH3O2H # Reaction 2109 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.525e+04} - equation: NC4KET23OH + C2H3 <=> CH3COCOHCH3 + C2H4 # Reaction 2110 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 3400.0} - equation: NC4KET23OH + C2H5 <=> CH3COCOHCH3 + C2H6 # Reaction 2111 rate-constant: {A: 3.0e+10, b: 0.0, Ea: 8600.0} - equation: CH3COHCO + CH3 <=> CH3COCOHCH3 # Reaction 2112 rate-constant: {A: 1.23e+11, b: 0.0, Ea: 7800.0} - equation: CH3COHCO + OH <=> SC2H4OH + CO2 # Reaction 2113 rate-constant: {A: 1.73e+12, b: 0.0, Ea: -1010.0} - equation: CH3COHCO + H <=> SC2H4OH + CO # Reaction 2114 rate-constant: {A: 4.4e+12, b: 0.0, Ea: 1459.0} - equation: SQC4H7OHS-4 + O2 <=> SQC4H7OHS-4O2 # Reaction 2115 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: SQC4H7OHS-4O2 <=> NC4KET24OH-3 + OH # Reaction 2116 rate-constant: {A: 57.9, b: 2.9, Ea: 1.7e+04} - equation: SQC4H7OHS-4O2 <=> C4H7O2-1,3OOH # Reaction 2117 rate-constant: {A: 9.3e+10, b: -0.036, Ea: 2.289e+04} - equation: SQC4H7OHS-4O2 <=> C4H6OHOOH1-2-3 + HO2 # Reaction 2118 rate-constant: {A: 2.44e+13, b: -0.253, Ea: 3.259e+04} - equation: SQC4H7OHS-4O2 <=> NC4KET13OH-2 + OH # Reaction 2119 rate-constant: {A: 1.49e+09, b: 0.109, Ea: 4.139e+04} - equation: C4H6OHOOH1-2-3 => CH2COHCHO + CH3 + OH # Reaction 2120 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C4H6OHOOH1-2-3 => CH3CHO + SC2H2OH + OH # Reaction 2121 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: SC2H2OH + HCO <=> CH2COHCHO # Reaction 2122 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: CH2COHCHO + H <=> CH2COHCO + H2 # Reaction 2123 rate-constant: {A: 1.34e+13, b: 0.0, Ea: 3300.0} - equation: CH2COHCHO + O <=> CH2COHCO + OH # Reaction 2124 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: CH2COHCHO + OH <=> CH2COHCO + H2O # Reaction 2125 rate-constant: {A: 9.24e+06, b: 1.5, Ea: -962.0} - equation: CH2COHCHO + O2 <=> CH2COHCO + HO2 # Reaction 2126 rate-constant: {A: 1.005e+13, b: 0.0, Ea: 4.07e+04} - equation: CH2COHCHO + HO2 <=> CH2COHCO + H2O2 # Reaction 2127 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: CH2COHCHO + CH3 <=> CH2COHCO + CH4 # Reaction 2128 rate-constant: {A: 2.608e+06, b: 1.78, Ea: 5911.0} - equation: CH2COHCHO + C2H3 <=> CH2COHCO + C2H4 # Reaction 2129 rate-constant: {A: 1.74e+12, b: 0.0, Ea: 8440.0} - equation: CH2COHCHO + CH3O <=> CH2COHCO + CH3OH # Reaction 2130 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 3300.0} - equation: CH2COHCHO + CH3O2 <=> CH2COHCO + CH3O2H # Reaction 2131 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: SC2H2OH + CO <=> CH2COHCO # Reaction 2132 rate-constant: {A: 1.51e+11, b: 0.0, Ea: 4810.0} - equation: SC2H2OH <=> CH2CO + H # Reaction 2133 rate-constant: {A: 5.69e+52, b: -13.38, Ea: 4.5049e+04} - equation: SC2H2OH <=> HCCOH + H # Reaction 2134 rate-constant: {A: 5.4e+46, b: -11.63, Ea: 4.4323e+04} - equation: SC2H2OH <=> C2H2OH # Reaction 2135 rate-constant: {A: 2.65e+36, b: -8.86, Ea: 5.1019e+04} - equation: SC2H2OH + O2 <=> CH2CO + HO2 # Reaction 2136 rate-constant: {A: 5.26e+17, b: -1.638, Ea: 869.0} - equation: SC2H2OH + O2 <=> HCCOH + HO2 # Reaction 2137 rate-constant: {A: 5512.0, b: 2.495, Ea: -414.0} - equation: C4H8-1 + O <=> NC3H7 + HCO # Reaction 2138 rate-constant: {A: 7.45e+06, b: 1.88, Ea: 183.0} - equation: C4H8-1 + O => CH2CO + C2H5 + H # Reaction 2139 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: C4H8-1 + O => C2H5CHCO + H + H # Reaction 2140 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: C4H8-2 + O <=> CH3 + C2H5CO # Reaction 2141 rate-constant: {A: 7.45e+06, b: 1.88, Ea: 183.0} - equation: C4H8-2 + O => CH2CO + C2H5 + H # Reaction 2142 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: C4H8-2 + O => C2H5CHCO + H + H # Reaction 2143 rate-constant: {A: 3.05e+06, b: 1.88, Ea: 183.0} - equation: SC4H9O2 <=> C4H8-2 + HO2 # Reaction 2144 rate-constant: {A: 7.25e+09, b: 0.8, Ea: 2.99e+04} duplicate: true - equation: SC4H9O2 <=> C4H8-2 + HO2 # Reaction 2145 rate-constant: {A: 1.7e+10, b: 0.67, Ea: 3.07e+04} duplicate: true - equation: C4H8OOH1-2 <=> C4H8-1 + HO2 # Reaction 2146 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.09e+13, b: -1.38, Ea: 9113.0} - {P: 0.1 atm, A: 2.93e+18, b: -2.6, Ea: 1.3142e+04} - {P: 1.0 atm, A: 7.8e+24, b: -4.05, Ea: 1.8999e+04} - {P: 2.0 atm, A: 1.76e+26, b: -4.32, Ea: 2.0657e+04} - {P: 5.0 atm, A: 7.86e+26, b: -4.35, Ea: 2.2246e+04} - {P: 10.0 atm, A: 1.73e+26, b: -4.06, Ea: 2.2736e+04} - {P: 30.0 atm, A: 1.39e+23, b: -3.04, Ea: 2.2032e+04} - {P: 50.0 atm, A: 1.45e+21, b: -2.43, Ea: 2.1227e+04} - equation: C4H8-1 + HO2 <=> C4H8OOH2-1 # Reaction 2147 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0133 atm, A: 9.74e+05, b: 0.41, Ea: 7570.0} - {P: 1.0 atm, A: 8.43e+14, b: -1.76, Ea: 1.2124e+04} - {P: 10.0 atm, A: 1.82e+20, b: -3.03, Ea: 1.6135e+04} - {P: 100.0 atm, A: 8.79e+17, b: -2.04, Ea: 1.7111e+04} - equation: C4H8-1 + HO2 <=> C4H8O1-2 + OH # Reaction 2148 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0133 atm, A: 2960.0, b: 2.45, Ea: 1.2199e+04} - {P: 1.0 atm, A: 1.69e+10, b: 0.51, Ea: 1.6606e+04} - {P: 10.0 atm, A: 2.19e+17, b: -1.48, Ea: 2.2209e+04} - {P: 100.0 atm, A: 2.73e+21, b: -2.51, Ea: 2.7857e+04} - equation: C4H8OOH2-1 <=> C4H8O1-2 + OH # Reaction 2149 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0133 atm, A: 2.75e+22, b: -4.39, Ea: 1.2349e+04} - {P: 1.0 atm, A: 2.44e+29, b: -5.9, Ea: 1.7573e+04} - {P: 10.0 atm, A: 1.52e+30, b: -5.84, Ea: 1.9702e+04} - {P: 100.0 atm, A: 1.93e+20, b: -2.66, Ea: 1.6454e+04} - equation: C4H8-2 + HO2 <=> C4H8OOH2-3 # Reaction 2150 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0133 atm, A: 2.53e+12, b: -1.27, Ea: 1.0098e+04} - {P: 1.0 atm, A: 1.34e+11, b: -0.48, Ea: 8480.0} - {P: 10.0 atm, A: 1.93e+17, b: -2.04, Ea: 1.2122e+04} - {P: 100.0 atm, A: 4.45e+19, b: -2.45, Ea: 1.4812e+04} - equation: C4H8-2 + HO2 <=> C4H8O2-3 + OH # Reaction 2151 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0133 atm, A: 7.65e+05, b: 1.92622, Ea: 1.0745e+04} - {P: 1.0 atm, A: 1.79e+08, b: 1.25089, Ea: 1.237e+04} - {P: 10.0 atm, A: 1.75e+15, b: -0.74, Ea: 1.722e+04} - {P: 100.0 atm, A: 8.37e+20, b: -2.28314, Ea: 2.2838e+04} - equation: C4H8OOH2-3 <=> C4H8O2-3 + OH # Reaction 2152 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0133 atm, A: 3.02e+19, b: -3.51, Ea: 9746.0} - {P: 1.0 atm, A: 6.37e+24, b: -4.55, Ea: 1.348e+04} - {P: 10.0 atm, A: 1.39e+28, b: -5.25, Ea: 1.647e+04} - {P: 100.0 atm, A: 1.54e+27, b: -4.69, Ea: 1.7832e+04} - equation: C4H8-1 + CH3O2 <=> C4H8O1-2 + CH3O # Reaction 2153 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.434e+04} - equation: C4H8-2 + CH3O2 <=> C4H8O2-3 + CH3O # Reaction 2154 rate-constant: {A: 5.62e+11, b: 0.0, Ea: 1.231e+04} - equation: C4H6 <=> C4H5-I + H # Reaction 2155 rate-constant: {A: 5.7e+36, b: -6.27, Ea: 1.12353e+05} - equation: C4H6 <=> C4H5-N + H # Reaction 2156 rate-constant: {A: 5.3e+44, b: -8.62, Ea: 1.23608e+05} - equation: C4H6 <=> C4H4 + H2 # Reaction 2157 rate-constant: {A: 2.5e+15, b: 0.0, Ea: 9.47e+04} - equation: H2CC + C2H4 <=> C4H6 # Reaction 2158 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C4H6 + H <=> C4H5-N + H2 # Reaction 2159 rate-constant: {A: 1.33e+06, b: 2.53, Ea: 1.224e+04} - equation: C4H5-N + HO2 <=> C4H6 + O2 # Reaction 2160 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 0.0} - equation: C4H6 + O <=> C4H5-N + OH # Reaction 2161 rate-constant: {A: 7.5e+06, b: 1.9, Ea: 3740.0} - equation: C4H6 + OH <=> C4H5-N + H2O # Reaction 2162 rate-constant: {A: 6.2e+06, b: 2.0, Ea: 3430.0} - equation: C4H5-N + H2O2 <=> C4H6 + HO2 # Reaction 2163 rate-constant: {A: 1.21e+10, b: 0.0, Ea: -596.0} - equation: C4H6 + CH3 <=> C4H5-N + CH4 # Reaction 2164 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 2.28e+04} - equation: C4H6 + C2H3 <=> C4H5-N + C2H4 # Reaction 2165 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 2.28e+04} - equation: C4H6 + C3H3 <=> C4H5-N + C3H4-A # Reaction 2166 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2.25e+04} - equation: C4H6 + C3H5-A <=> C4H5-N + C3H6 # Reaction 2167 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2.25e+04} - equation: C4H6 + H <=> C4H5-I + H2 # Reaction 2168 rate-constant: {A: 6.65e+05, b: 2.53, Ea: 9240.0} - equation: C4H5-I + HO2 <=> C4H6 + O2 # Reaction 2169 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 0.0} - equation: C4H6 + O <=> C4H5-I + OH # Reaction 2170 rate-constant: {A: 7.5e+06, b: 1.9, Ea: 3740.0} - equation: C4H6 + OH <=> C4H5-I + H2O # Reaction 2171 rate-constant: {A: 3.1e+06, b: 2.0, Ea: 430.0} - equation: C4H5-I + H2O2 <=> C4H6 + HO2 # Reaction 2172 rate-constant: {A: 1.21e+10, b: 0.0, Ea: -596.0} - equation: C4H6 + CH3 <=> C4H5-I + CH4 # Reaction 2173 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.98e+04} - equation: C4H6 + C2H3 <=> C4H5-I + C2H4 # Reaction 2174 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 1.98e+04} - equation: C4H6 + C3H3 <=> C4H5-I + C3H4-A # Reaction 2175 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.95e+04} - equation: C4H6 + C3H5-A <=> C4H5-I + C3H6 # Reaction 2176 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.95e+04} - equation: C4H6 + H <=> C2H4 + C2H3 # Reaction 2177 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 1.46e+30, b: -4.34, Ea: 2.1647e+04} - {P: 10.0 atm, A: 5.45e+30, b: -4.51, Ea: 2.1877e+04} - equation: C4H6 + H <=> C3H4-P + CH3 # Reaction 2178 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 7000.0} - equation: C4H6 + H <=> C3H4-A + CH3 # Reaction 2179 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 7000.0} - equation: C4H6 + O <=> C2H2 + C2H4O1-2 # Reaction 2180 rate-constant: {A: 1.0e+08, b: 1.45, Ea: -860.0} - equation: C4H6 + O <=> SC3H5CO + H # Reaction 2181 rate-constant: {A: 5.0e+07, b: 1.45, Ea: -860.0} - equation: C4H6 + O <=> CH2CHCHCHO + H # Reaction 2182 rate-constant: {A: 4.5e+08, b: 1.45, Ea: -860.0} - equation: C4H6 + OH <=> C2H3CHO + CH3 # Reaction 2183 rate-constant: {A: 1.37e+12, b: 0.0, Ea: -1040.0} - equation: C4H6 + OH <=> C3H5-A + CH2O # Reaction 2184 rate-constant: {A: 1.37e+12, b: 0.0, Ea: -1040.0} - equation: C4H6 + HO2 <=> C4H6O25 + OH # Reaction 2185 rate-constant: {A: 1.2e+12, b: 0.0, Ea: 1.4e+04} - equation: C4H6 + HO2 <=> C2H3CHOCH2 + OH # Reaction 2186 rate-constant: {A: 4.8e+12, b: 0.0, Ea: 1.4e+04} - equation: C4H6O25 <=> C4H4O + H2 # Reaction 2187 rate-constant: {A: 5.3e+12, b: 0.0, Ea: 4.85e+04} - equation: C2H3CHOCH2 <=> C4H6O23 # Reaction 2188 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 5.06e+04} - equation: C4H6O23 <=> SC3H5CHO # Reaction 2189 rate-constant: {A: 1.95e+13, b: 0.0, Ea: 4.94e+04} - equation: C4H6O23 <=> C2H4 + CH2CO # Reaction 2190 rate-constant: {A: 5.75e+15, b: 0.0, Ea: 6.93e+04} - equation: C4H6O23 <=> C2H2 + C2H4O1-2 # Reaction 2191 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 7.58e+04} - equation: C4H4O <=> CO + C3H4-P # Reaction 2192 rate-constant: {A: 1.78e+15, b: 0.0, Ea: 7.75e+04} - equation: C4H4O <=> C2H2 + CH2CO # Reaction 2193 rate-constant: {A: 5.01e+14, b: 0.0, Ea: 7.75e+04} - equation: C2H3 + C2H2 <=> C4H4 + H # Reaction 2194 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0132 atm, A: 7.2e+13, b: -0.48, Ea: 6100.0} - {P: 0.0263 atm, A: 5.0e+14, b: -0.71, Ea: 6700.0} - {P: 0.12 atm, A: 4.6e+16, b: -1.25, Ea: 8400.0} - {P: 1.0 atm, A: 2.0e+18, b: -1.68, Ea: 1.06e+04} - {P: 10.0 atm, A: 4.9e+16, b: -1.13, Ea: 1.18e+04} - equation: C2H3 + C2H2 <=> C4H5-N # Reaction 2195 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0132 atm, A: 1.1e+31, b: -7.14, Ea: 5600.0} - {P: 0.0263 atm, A: 1.1e+32, b: -7.33, Ea: 6200.0} - {P: 0.12 atm, A: 2.4e+31, b: -6.95, Ea: 5600.0} - {P: 1.0 atm, A: 9.3e+38, b: -8.76, Ea: 1.2e+04} - {P: 10.0 atm, A: 8.1e+37, b: -8.09, Ea: 1.34e+04} - equation: C2H3 + C2H2 <=> C4H5-I # Reaction 2196 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0132 atm, A: 5.0e+34, b: -8.42, Ea: 7900.0} - {P: 0.0263 atm, A: 2.1e+36, b: -8.78, Ea: 9100.0} - {P: 0.12 atm, A: 1.0e+37, b: -8.77, Ea: 9800.0} - {P: 1.0 atm, A: 1.6e+46, b: -10.98, Ea: 1.86e+04} - {P: 10.0 atm, A: 5.1e+53, b: -12.64, Ea: 2.88e+04} - equation: C2H3 + C2H3 <=> C4H6 # Reaction 2197 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0263 atm, A: 7.0e+57, b: -13.82, Ea: 1.7629e+04} - {P: 0.12 atm, A: 1.5e+52, b: -11.97, Ea: 1.6056e+04} - {P: 1.0 atm, A: 1.5e+42, b: -8.84, Ea: 1.2483e+04} - equation: C2H3 + C2H3 <=> C4H5-I + H # Reaction 2198 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0263 atm, A: 1.5e+30, b: -4.95, Ea: 1.2958e+04} - {P: 0.12 atm, A: 7.2e+28, b: -4.49, Ea: 1.4273e+04} - {P: 1.0 atm, A: 1.2e+22, b: -2.44, Ea: 1.3654e+04} - equation: C2H3 + C2H3 <=> C4H5-N + H # Reaction 2199 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0263 atm, A: 1.1e+24, b: -3.28, Ea: 1.2395e+04} - {P: 0.12 atm, A: 4.6e+24, b: -3.38, Ea: 1.465e+04} - {P: 1.0 atm, A: 2.4e+20, b: -2.04, Ea: 1.5361e+04} - equation: C4H5-N <=> C4H5-I # Reaction 2200 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0132 atm, A: 2.4e+60, b: -16.08, Ea: 4.75e+04} - {P: 0.0263 atm, A: 1.3e+62, b: -16.38, Ea: 4.96e+04} - {P: 0.12 atm, A: 4.9e+66, b: -17.26, Ea: 5.54e+04} - {P: 1.0 atm, A: 1.5e+67, b: -16.89, Ea: 5.91e+04} - {P: 10.0 atm, A: 2.0e+60, b: -14.46, Ea: 5.86e+04} - equation: C4H4 + H <=> C4H5-N # Reaction 2201 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0132 atm, A: 1.2e+51, b: -12.57, Ea: 1.23e+04} - {P: 0.0263 atm, A: 4.2e+50, b: -12.34, Ea: 1.25e+04} - {P: 0.12 atm, A: 1.1e+50, b: -11.94, Ea: 1.34e+04} - {P: 1.0 atm, A: 1.3e+51, b: -11.92, Ea: 1.65e+04} - {P: 10.0 atm, A: 6.2e+45, b: -10.08, Ea: 1.58e+04} - equation: C4H4 + H <=> C4H5-I # Reaction 2202 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.0132 atm, A: 6.1e+53, b: -13.19, Ea: 1.42e+04} - {P: 0.0263 atm, A: 9.6e+52, b: -12.85, Ea: 1.43e+04} - {P: 0.12 atm, A: 2.1e+52, b: -12.44, Ea: 1.55e+04} - {P: 1.0 atm, A: 4.9e+51, b: -11.92, Ea: 1.77e+04} - {P: 10.0 atm, A: 1.5e+48, b: -10.58, Ea: 1.88e+04} - equation: C4H5-N + H <=> C4H5-I + H # Reaction 2203 rate-constant: {A: 3.1e+26, b: -3.35, Ea: 1.7423e+04} - equation: C4H5-N + H <=> C4H4 + H2 # Reaction 2204 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: C4H5-N + OH <=> C4H4 + H2O # Reaction 2205 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C4H5-N + HCO <=> C4H6 + CO # Reaction 2206 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H5-N + HO2 => C2H3 + CH2CO + OH # Reaction 2207 rate-constant: {A: 6.6e+12, b: 0.0, Ea: 0.0} - equation: C4H5-N + O2 <=> CH2CHCHCHO + O # Reaction 2208 rate-constant: {A: 3.0e+11, b: 0.29, Ea: 11.0} - equation: C4H5-N + O2 <=> HCO + C2H3CHO # Reaction 2209 rate-constant: {A: 9.2e+16, b: -1.39, Ea: 1010.0} - equation: C4H5-N + O2 => H + CO + C2H3CHO # Reaction 2210 rate-constant: {A: 5.19e+15, b: -1.26, Ea: 3312.62} - equation: C4H5-I + H <=> C4H4 + H2 # Reaction 2211 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C4H5-I + H <=> C3H3 + CH3 # Reaction 2212 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2000.0} - equation: C4H5-I + OH <=> C4H4 + H2O # Reaction 2213 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: C4H5-I + HCO <=> C4H6 + CO # Reaction 2214 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C4H5-I + HO2 => C2H3 + CH2CO + OH # Reaction 2215 rate-constant: {A: 6.6e+12, b: 0.0, Ea: 0.0} - equation: C4H5-I + O2 <=> CH2CO + CH2CHO # Reaction 2216 rate-constant: {A: 2.16e+10, b: 0.0, Ea: 2500.0} - equation: C4H5-2 <=> C4H5-I # Reaction 2217 rate-constant: {A: 1.5e+67, b: -16.89, Ea: 5.91e+04} - equation: C4H5-2 + H <=> C4H5-I + H # Reaction 2218 rate-constant: {A: 3.1e+26, b: -3.35, Ea: 1.7423e+04} - equation: C4H5-2 + HO2 => OH + C2H2 + CH3CO # Reaction 2219 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 0.0} - equation: C4H5-2 + O2 <=> CH3CO + CH2CO # Reaction 2220 rate-constant: {A: 2.16e+10, b: 0.0, Ea: 2500.0} - equation: C4H5-2 + OH <=> CH2OH + C3H3 # Reaction 2221 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: C4H5-2 + O <=> CH2O + C3H3 # Reaction 2222 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C4H6 + C2H3 => C6H6 + H2 + H # Reaction 2223 rate-constant: {A: 5.62e+11, b: 0.0, Ea: 3240.0} - equation: C4H5-I + C2H2 <=> FULVENE + H # Reaction 2224 rate-constant: {A: 9.738e+26, b: -3.76, Ea: 2.1329e+04} - equation: C4H5-N + C2H2 <=> FULVENE + H # Reaction 2225 rate-constant: {A: 1.74e+19, b: -1.86, Ea: 1.2384e+04} - equation: C4H5-N + C2H2 <=> C6H6 + H # Reaction 2226 rate-constant: {A: 1.6e+16, b: -1.33, Ea: 5400.0} - equation: C4H5-N + C2H3 <=> C6H6 + H2 # Reaction 2227 rate-constant: {A: 1.84e-13, b: 7.07, Ea: -3611.0} - equation: C4H5-2 + C2H <=> C3H3 + C3H3 # Reaction 2228 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: C4H5-2 + C2H2 <=> C6H6 + H # Reaction 2229 rate-constant: {A: 5.0e+14, b: 0.0, Ea: 2.5e+04} - equation: C4H5-2 + C2H4 <=> C5H6 + CH3 # Reaction 2230 rate-constant: {A: 5.0e+14, b: 0.0, Ea: 2.5e+04} - equation: C4H612 <=> C4H5-I + H # Reaction 2231 rate-constant: {A: 4.2e+15, b: 0.0, Ea: 9.26e+04} - equation: C4H612 <=> C4H6 # Reaction 2232 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 6.5e+04} - equation: C3H3 + CH3 (+ M) <=> C4H612 (+ M) # Reaction 2233 type: falloff low-P-rate-constant: {A: 2.6e+57, b: -11.94, Ea: 9770.0} high-P-rate-constant: {A: 1.5e+12, b: 0.0, Ea: 0.0} Troe: {A: 0.175, T3: 1341.0, T1: 6.0e+04, T2: 9770.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C4H612 + H <=> C4H5-I + H2 # Reaction 2234 rate-constant: {A: 1.7e+05, b: 2.5, Ea: 2490.0} - equation: C4H612 + CH3 <=> C4H5-I + CH4 # Reaction 2235 rate-constant: {A: 7.0e+13, b: 0.0, Ea: 1.85e+04} - equation: C4H612 + O <=> C4H5-I + OH # Reaction 2236 rate-constant: {A: 1.8e+11, b: 0.7, Ea: 5880.0} - equation: C4H612 + OH <=> C4H5-I + H2O # Reaction 2237 rate-constant: {A: 3.1e+06, b: 2.0, Ea: -298.0} - equation: C4H612 + H <=> C4H6 + H # Reaction 2238 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4000.0} - equation: C4H612 + H <=> C3H4-A + CH3 # Reaction 2239 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2000.0} - equation: C4H612 + H <=> C3H4-P + CH3 # Reaction 2240 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 2000.0} - equation: C4H612 + O <=> CH2CO + C2H4 # Reaction 2241 rate-constant: {A: 1.2e+08, b: 1.65, Ea: 327.0} - equation: C4H6-2 <=> C4H6 # Reaction 2242 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 6.5e+04} - equation: C4H6-2 <=> C4H612 # Reaction 2243 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 6.7e+04} - equation: C4H6-2 + H <=> C4H612 + H # Reaction 2244 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4000.0} - equation: C4H6-2 + H <=> C4H5-2 + H2 # Reaction 2245 rate-constant: {A: 3.4e+05, b: 2.5, Ea: 2490.0} - equation: C4H6-2 + H <=> CH3 + C3H4-P # Reaction 2246 rate-constant: {A: 2.6e+05, b: 2.5, Ea: 1000.0} - equation: C4H6-2 <=> H + C4H5-2 # Reaction 2247 rate-constant: {A: 5.0e+15, b: 0.0, Ea: 8.73e+04} - equation: C4H6-2 + CH3 <=> C4H5-2 + CH4 # Reaction 2248 rate-constant: {A: 1.4e+14, b: 0.0, Ea: 1.85e+04} - equation: C4H3-I + H <=> C4H4 # Reaction 2249 rate-constant: {A: 3.4e+43, b: -9.01, Ea: 1.212e+04} - equation: C4H4 + H <=> C4H3-N + H2 # Reaction 2250 rate-constant: {A: 6.65e+05, b: 2.53, Ea: 1.224e+04} - equation: C4H4 + OH <=> C4H3-N + H2O # Reaction 2251 rate-constant: {A: 3.1e+07, b: 2.0, Ea: 3430.0} - equation: C4H4 + H <=> C4H3-I + H2 # Reaction 2252 rate-constant: {A: 3.33e+05, b: 2.53, Ea: 9240.0} - equation: C4H4 + OH <=> C4H3-I + H2O # Reaction 2253 rate-constant: {A: 1.55e+07, b: 2.0, Ea: 430.0} - equation: C4H4 + CH3 <=> C4H3-I + CH4 # Reaction 2254 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 1.98e+04} - equation: C4H4 + CH3 <=> C4H3-N + CH4 # Reaction 2255 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 2.28e+04} - equation: C3H3 + CH2 <=> C4H4 + H # Reaction 2256 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C4H4 + O <=> C3H3 + HCO # Reaction 2257 rate-constant: {A: 6.0e+08, b: 1.45, Ea: -860.0} - equation: C4H4 + OH <=> CH2O + C3H3 # Reaction 2258 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C2H2 + C2H (+ M) <=> C4H3-N (+ M) # Reaction 2259 type: falloff low-P-rate-constant: {A: 1.24e+31, b: -4.718, Ea: 1871.0} high-P-rate-constant: {A: 8.3e+10, b: 0.899, Ea: -363.0} Troe: {A: 1.0, T3: 100.0, T1: 5613.0, T2: 1.339e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0, C2H4: 2.5, C2H2: 2.5} - equation: C2H2 + C2H (+ M) <=> C4H3-I (+ M) # Reaction 2260 type: falloff low-P-rate-constant: {A: 1.24e+31, b: -4.718, Ea: 1871.0} high-P-rate-constant: {A: 8.3e+10, b: 0.899, Ea: -363.0} Troe: {A: 1.0, T3: 100.0, T1: 5613.0, T2: 1.339e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0, C2H4: 2.5, C2H2: 2.5} - equation: C4H2 + H <=> C4H3-N # Reaction 2261 rate-constant: {A: 1.1e+42, b: -8.72, Ea: 1.53e+04} - equation: C4H2 + H <=> C4H3-I # Reaction 2262 rate-constant: {A: 1.1e+30, b: -4.92, Ea: 1.08e+04} - equation: C4H3-N <=> C4H3-I # Reaction 2263 rate-constant: {A: 4.1e+43, b: -9.49, Ea: 5.3e+04} - equation: C4H3-N + H <=> C4H3-I + H # Reaction 2264 rate-constant: {A: 2.5e+20, b: -1.67, Ea: 1.08e+04} - equation: C4H3-N + H <=> C2H2 + H2CC # Reaction 2265 rate-constant: {A: 6.3e+25, b: -3.34, Ea: 1.0014e+04} - equation: C4H3-N + H <=> C4H4 # Reaction 2266 rate-constant: {A: 2.0e+47, b: -10.26, Ea: 1.307e+04} - equation: C4H3-N + H <=> C4H2 + H2 # Reaction 2267 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C4H3-N + OH <=> C4H2 + H2O # Reaction 2268 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C4H3-N + C2H3 <=> C3H3 + C3H3 # Reaction 2269 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: C3H3 + CH <=> C4H3-I + H # Reaction 2270 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0} - equation: C4H3-I + H <=> C2H2 + H2CC # Reaction 2271 rate-constant: {A: 2.8e+23, b: -2.55, Ea: 1.078e+04} - equation: C4H3-I + H <=> C4H2 + H2 # Reaction 2272 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0} - equation: C4H3-I + OH <=> C4H2 + H2O # Reaction 2273 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: C4H3-I + O2 <=> HCCO + CH2CO # Reaction 2274 rate-constant: {A: 7.86e+16, b: -1.8, Ea: 0.0} - equation: C4H3-I + CH2 <=> C3H4-A + C2H # Reaction 2275 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C4H4 + C2H <=> L-C6H4 + H # Reaction 2276 rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0} - equation: C4H3-N + C2H2 <=> L-C6H4 + H # Reaction 2277 rate-constant: {A: 2.5e+14, b: -0.56, Ea: 1.06e+04} - equation: C4H3-N + C2H2 <=> C-C6H4 + H # Reaction 2278 rate-constant: {A: 6.9e+46, b: -10.01, Ea: 3.01e+04} - equation: C4H3-N + C2H2 <=> C6H5 # Reaction 2279 rate-constant: {A: 9.6e+70, b: -17.77, Ea: 3.13e+04} - equation: C4H3-I + CH3 <=> C5H6 # Reaction 2280 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C3H3 + HCCO <=> C4H4 + CO # Reaction 2281 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 0.0} - equation: H2CC + C2H2 (+ M) <=> C4H4 (+ M) # Reaction 2282 type: falloff low-P-rate-constant: {A: 1.4e+60, b: -12.599, Ea: 7417.0} high-P-rate-constant: {A: 3.5e+05, b: 2.055, Ea: -2400.0} Troe: {A: 0.98, T3: 56.0, T1: 580.0, T2: 4164.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, CH4: 2.0, C2H6: 3.0, C2H4: 3.0, C2H2: 3.0} - equation: C2H2 + C2H <=> C4H2 + H # Reaction 2283 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0} - equation: C4H2 + OH <=> H2C4O + H # Reaction 2284 rate-constant: {A: 6.6e+12, b: 0.0, Ea: -410.0} - equation: C4H2 + OH <=> CO + C3H3 # Reaction 2285 rate-constant: {A: 2.58e+19, b: -2.44, Ea: 3034.0} - equation: H2C4O + H <=> C2H2 + HCCO # Reaction 2286 rate-constant: {A: 5.0e+13, b: 0.0, Ea: 3000.0} - equation: H2C4O + OH <=> CH2CO + HCCO # Reaction 2287 rate-constant: {A: 1.0e+07, b: 2.0, Ea: 2000.0} - equation: C4H2 + C2H <=> C6H2 + H # Reaction 2288 rate-constant: {A: 9.6e+13, b: 0.0, Ea: 0.0} - equation: C4H2 + C2H <=> C6H3 # Reaction 2289 rate-constant: {A: 4.5e+37, b: -7.68, Ea: 7100.0} - equation: NC3H7CHO + O2 <=> NC3H7CO + HO2 # Reaction 2290 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04} - equation: NC3H7CHO + O <=> NC3H7CO + OH # Reaction 2291 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: NC3H7CHO + H <=> NC3H7CO + H2 # Reaction 2292 rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0} - equation: NC3H7CHO + OH <=> NC3H7CO + H2O # Reaction 2293 rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0} - equation: NC3H7CHO + HO2 <=> NC3H7CO + H2O2 # Reaction 2294 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: NC3H7CHO + CH3 <=> NC3H7CO + CH4 # Reaction 2295 rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0} - equation: NC3H7CHO + CH3O2 <=> NC3H7CO + CH3O2H # Reaction 2296 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: NC3H7CHO + OH <=> C3H6CHO-3 + H2O # Reaction 2297 rate-constant: {A: 552.0, b: 3.12, Ea: -1176.0} - equation: NC3H7CHO + HO2 <=> C3H6CHO-3 + H2O2 # Reaction 2298 rate-constant: {A: 3.44e+12, b: 0.05, Ea: 1.788e+04} - equation: NC3H7CHO + CH3O2 <=> C3H6CHO-3 + CH3O2H # Reaction 2299 rate-constant: {A: 3.44e+12, b: 0.05, Ea: 1.788e+04} - equation: NC3H7CHO + OH <=> C3H6CHO-2 + H2O # Reaction 2300 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: NC3H7CHO + HO2 <=> C3H6CHO-2 + H2O2 # Reaction 2301 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC3H7CHO + CH3O2 <=> C3H6CHO-2 + CH3O2H # Reaction 2302 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC3H7CHO + OH <=> C3H6CHO-1 + H2O # Reaction 2303 rate-constant: {A: 5.28e+09, b: 0.97, Ea: 1586.0} - equation: NC3H7CHO + HO2 <=> C3H6CHO-1 + H2O2 # Reaction 2304 rate-constant: {A: 2.379e+04, b: 2.55, Ea: 1.649e+04} - equation: NC3H7CHO + CH3O2 <=> C3H6CHO-1 + CH3O2H # Reaction 2305 rate-constant: {A: 2.379e+04, b: 2.55, Ea: 1.649e+04} - equation: NC3H7CO <=> NC3H7 + CO # Reaction 2306 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9600.0} - equation: C2H5CHCO + H <=> C3H6CHO-3 # Reaction 2307 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1200.0} - equation: C2H3CHO + CH3 <=> C3H6CHO-3 # Reaction 2308 rate-constant: {A: 1.23e+11, b: 0.0, Ea: 7800.0} - equation: C3H6CHO-1 <=> C2H4 + CH2CHO # Reaction 2309 rate-constant: {A: 7.4e+11, b: 0.0, Ea: 2.197e+04} - equation: C2H5CHCO + OH <=> NC3H7 + CO2 # Reaction 2310 rate-constant: {A: 3.73e+12, b: 0.0, Ea: -1010.0} - equation: C2H5CHCO + H <=> NC3H7 + CO # Reaction 2311 rate-constant: {A: 4.4e+12, b: 0.0, Ea: 1459.0} - equation: C2H5CHCO + O <=> C3H6 + CO2 # Reaction 2312 rate-constant: {A: 3.2e+12, b: 0.0, Ea: -437.0} - equation: SC3H5CHO <=> C3H6 + CO # Reaction 2313 rate-constant: {A: 3.9e+14, b: 0.0, Ea: 6.9e+04} - equation: SC3H5CO + H <=> SC3H5CHO # Reaction 2314 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: CH2CHCHCHO + H <=> SC3H5CHO # Reaction 2315 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: SC3H5CHO + OH <=> SC3H5CO + H2O # Reaction 2316 rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0} - equation: SC3H5CHO + HO2 <=> SC3H5CO + H2O2 # Reaction 2317 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.192e+04} - equation: SC3H5CHO + CH3 <=> SC3H5CO + CH4 # Reaction 2318 rate-constant: {A: 3.98e+12, b: 0.0, Ea: 8700.0} - equation: SC3H5CHO + O <=> SC3H5CO + OH # Reaction 2319 rate-constant: {A: 7.18e+12, b: 0.0, Ea: 1389.0} - equation: SC3H5CHO + O2 <=> SC3H5CO + HO2 # Reaction 2320 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.76e+04} - equation: SC3H5CHO + H <=> SC3H5CO + H2 # Reaction 2321 rate-constant: {A: 2.6e+12, b: 0.0, Ea: 2600.0} - equation: SC3H5CHO + C2H3 <=> SC3H5CO + C2H4 # Reaction 2322 rate-constant: {A: 1.11, b: 3.5, Ea: 4682.0} - equation: SC3H5CHO + H <=> CH2CHCHCHO + H2 # Reaction 2323 rate-constant: {A: 1.7e+05, b: 2.5, Ea: 2490.0} - equation: SC3H5CHO + O <=> CH2CHCHCHO + OH # Reaction 2324 rate-constant: {A: 5.24e+11, b: 0.7, Ea: 5884.0} - equation: SC3H5CHO + OH <=> CH2CHCHCHO + H2O # Reaction 2325 rate-constant: {A: 4.46e+06, b: 2.072, Ea: 1051.0} - equation: SC3H5CHO + CH3 <=> CH2CHCHCHO + CH4 # Reaction 2326 rate-constant: {A: 2.1, b: 3.5, Ea: 5675.0} - equation: SC3H5CHO + C2H3 <=> CH2CHCHCHO + C2H4 # Reaction 2327 rate-constant: {A: 2.21, b: 3.5, Ea: 4682.0} - equation: SC3H5CHO + H <=> CH3 + C2H3CHO # Reaction 2328 rate-constant: {A: 4.0e+21, b: -2.39, Ea: 1.118e+04} - equation: SC3H5CHO + H <=> C3H6 + HCO # Reaction 2329 rate-constant: {A: 4.0e+21, b: -2.39, Ea: 1.118e+04} - equation: C3H5-S + CO <=> SC3H5CO # Reaction 2330 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 8000.0} - equation: CH2CHCHCHO <=> C3H5-A + CO # Reaction 2331 rate-constant: {A: 6.1e+05, b: 0.92, Ea: -1120.0} - equation: CH2CHCHCHO + O2 <=> C2H3CHO + HOCO # Reaction 2332 rate-constant: {A: 1.2e+36, b: -7.25, Ea: 3.36e+04} - equation: C2H3COCH3 + OH <=> CH3CHO + CH3CO # Reaction 2333 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: C2H3COCH3 + OH => CH2CO + C2H3 + H2O # Reaction 2334 rate-constant: {A: 5.1e+11, b: 0.0, Ea: 1192.0} - equation: C2H3COCH3 + HO2 => CH2CHO + CH3CO + OH # Reaction 2335 rate-constant: {A: 6.03e+09, b: 0.0, Ea: 7949.0} - equation: C2H3COCH3 + HO2 => CH2CO + C2H3 + H2O2 # Reaction 2336 rate-constant: {A: 8.5e+12, b: 0.0, Ea: 2.046e+04} - equation: C2H3COCH3 + CH3O2 => CH2CHO + CH3CO + CH3O # Reaction 2337 rate-constant: {A: 3.97e+11, b: 0.0, Ea: 1.705e+04} - equation: C2H3COCH3 + CH3O2 => CH2CO + C2H3 + CH3O2H # Reaction 2338 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.758e+04} - equation: C2H5COCH3 + OH <=> CH2CH2COCH3 + H2O # Reaction 2339 rate-constant: {A: 7.55e+09, b: 0.97, Ea: 1586.0} - equation: C2H5COCH3 + HO2 <=> CH2CH2COCH3 + H2O2 # Reaction 2340 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: C2H5COCH3 + O <=> CH2CH2COCH3 + OH # Reaction 2341 rate-constant: {A: 2.25e+13, b: 0.0, Ea: 7700.0} - equation: C2H5COCH3 + H <=> CH2CH2COCH3 + H2 # Reaction 2342 rate-constant: {A: 9.16e+06, b: 2.0, Ea: 7700.0} - equation: C2H5COCH3 + O2 <=> CH2CH2COCH3 + HO2 # Reaction 2343 rate-constant: {A: 2.05e+13, b: 0.0, Ea: 5.131e+04} - equation: C2H5COCH3 + CH3 <=> CH2CH2COCH3 + CH4 # Reaction 2344 rate-constant: {A: 31.9, b: 3.17, Ea: 7172.0} - equation: C2H5COCH3 + CH3O <=> CH2CH2COCH3 + CH3OH # Reaction 2345 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6460.0} - equation: C2H5COCH3 + CH3O2 <=> CH2CH2COCH3 + CH3O2H # Reaction 2346 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.938e+04} - equation: C2H5COCH3 + C2H3 <=> CH2CH2COCH3 + C2H4 # Reaction 2347 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C2H5COCH3 + C2H5 <=> CH2CH2COCH3 + C2H6 # Reaction 2348 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.34e+04} - equation: C2H5COCH3 + OH <=> CH3CHCOCH3 + H2O # Reaction 2349 rate-constant: {A: 8.45e+11, b: 0.0, Ea: -228.0} - equation: C2H5COCH3 + HO2 <=> CH3CHCOCH3 + H2O2 # Reaction 2350 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 8698.0} - equation: C2H5COCH3 + O <=> CH3CHCOCH3 + OH # Reaction 2351 rate-constant: {A: 3.07e+13, b: 0.0, Ea: 3400.0} - equation: C2H5COCH3 + H <=> CH3CHCOCH3 + H2 # Reaction 2352 rate-constant: {A: 4.46e+06, b: 2.0, Ea: 3200.0} - equation: C2H5COCH3 + O2 <=> CH3CHCOCH3 + HO2 # Reaction 2353 rate-constant: {A: 1.55e+13, b: 0.0, Ea: 4.197e+04} - equation: C2H5COCH3 + CH3 <=> CH3CHCOCH3 + CH4 # Reaction 2354 rate-constant: {A: 1.74, b: 3.46, Ea: 3680.0} - equation: C2H5COCH3 + CH3O <=> CH3CHCOCH3 + CH3OH # Reaction 2355 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 2771.0} - equation: C2H5COCH3 + CH3O2 <=> CH3CHCOCH3 + CH3O2H # Reaction 2356 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.525e+04} - equation: C2H5COCH3 + C2H3 <=> CH3CHCOCH3 + C2H4 # Reaction 2357 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 3400.0} - equation: C2H5COCH3 + C2H5 <=> CH3CHCOCH3 + C2H6 # Reaction 2358 rate-constant: {A: 3.0e+10, b: 0.0, Ea: 8600.0} - equation: C2H5COCH3 + OH <=> C2H5COCH2 + H2O # Reaction 2359 rate-constant: {A: 5.1e+11, b: 0.0, Ea: 1192.0} - equation: C2H5COCH3 + HO2 <=> C2H5COCH2 + H2O2 # Reaction 2360 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.469e+04} - equation: C2H5COCH3 + O <=> C2H5COCH2 + OH # Reaction 2361 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 5962.0} - equation: C2H5COCH3 + H <=> C2H5COCH2 + H2 # Reaction 2362 rate-constant: {A: 9.3e+12, b: 0.0, Ea: 6357.0} - equation: C2H5COCH3 + O2 <=> C2H5COCH2 + HO2 # Reaction 2363 rate-constant: {A: 2.05e+13, b: 0.0, Ea: 4.915e+04} - equation: C2H5COCH3 + CH3 <=> C2H5COCH2 + CH4 # Reaction 2364 rate-constant: {A: 1.62e+11, b: 0.0, Ea: 9630.0} - equation: C2H5COCH3 + CH3O <=> C2H5COCH2 + CH3OH # Reaction 2365 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 4660.0} - equation: C2H5COCH3 + CH3O2 <=> C2H5COCH2 + CH3O2H # Reaction 2366 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.758e+04} - equation: C2H5COCH3 + C2H3 <=> C2H5COCH2 + C2H4 # Reaction 2367 rate-constant: {A: 6.15e+10, b: 0.0, Ea: 4278.0} - equation: C2H5COCH3 + C2H5 <=> C2H5COCH2 + C2H6 # Reaction 2368 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.16e+04} - equation: C2H3COCH3 + H <=> CH3CHCOCH3 # Reaction 2369 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1200.0} - equation: CH3CHCO + CH3 <=> CH3CHCOCH3 # Reaction 2370 rate-constant: {A: 1.23e+11, b: 0.0, Ea: 7800.0} - equation: C2H5COCH2 <=> CH2CO + C2H5 # Reaction 2371 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 3.5e+04} - equation: CH3CHCOCH3 + O2 <=> CH3CHOOCOCH3 # Reaction 2372 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: CH3CHOOCOCH3 <=> CH2CHOOHCOCH3 # Reaction 2373 rate-constant: {A: 8.9e+12, b: 0.0, Ea: 2.97e+04} - equation: C2H3COCH3 + HO2 <=> CH2CHOOHCOCH3 # Reaction 2374 rate-constant: {A: 7.0e+10, b: 0.0, Ea: 7800.0} - equation: NC5H12 <=> NC3H7 + C2H5 # Reaction 2375 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.18e+96, b: -23.17, Ea: 1.26046e+05} - {P: 0.1 atm, A: 1.855e+89, b: -20.9, Ea: 1.2563e+05} - {P: 1.0 atm, A: 3.55e+76, b: -17.02, Ea: 1.20458e+05} - {P: 2.0 atm, A: 3.475e+71, b: -15.54, Ea: 1.17854e+05} - {P: 5.0 atm, A: 2.16e+64, b: -13.43, Ea: 1.13815e+05} - {P: 10.0 atm, A: 4.55e+58, b: -11.79, Ea: 1.10456e+05} - {P: 20.0 atm, A: 1.02e+53, b: -10.15, Ea: 1.06996e+05} - {P: 50.0 atm, A: 9.0e+45, b: -8.13, Ea: 1.02538e+05} - equation: NC5H12 <=> PC4H9 + CH3 # Reaction 2376 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.09e+92, b: -22.46, Ea: 1.26235e+05} - {P: 0.1 atm, A: 4.83e+86, b: -20.36, Ea: 1.26331e+05} - {P: 1.0 atm, A: 3.24e+74, b: -16.63, Ea: 1.2164e+05} - {P: 2.0 atm, A: 4.03e+69, b: -15.18, Ea: 1.19142e+05} - {P: 5.0 atm, A: 3.0e+62, b: -13.09, Ea: 1.15199e+05} - {P: 10.0 atm, A: 6.47e+56, b: -11.44, Ea: 1.11875e+05} - {P: 20.0 atm, A: 1.36e+51, b: -9.8, Ea: 1.08418e+05} - {P: 50.0 atm, A: 9.74e+43, b: -7.75, Ea: 1.03923e+05} - equation: NC5H12 <=> C5H11-1 + H # Reaction 2377 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.99e+74, b: -17.75, Ea: 1.24798e+05} - {P: 0.1 atm, A: 5.72e+76, b: -18.01, Ea: 1.31106e+05} - {P: 1.0 atm, A: 4.42e+72, b: -16.46, Ea: 1.32942e+05} - {P: 2.0 atm, A: 4.56e+69, b: -15.52, Ea: 1.32148e+05} - {P: 5.0 atm, A: 2.64e+64, b: -13.92, Ea: 1.30026e+05} - {P: 10.0 atm, A: 3.8e+59, b: -12.48, Ea: 1.27648e+05} - {P: 20.0 atm, A: 1.44e+54, b: -10.89, Ea: 1.24707e+05} - {P: 50.0 atm, A: 3.28e+46, b: -8.67, Ea: 1.20241e+05} - equation: NC5H12 <=> C5H11-2 + H # Reaction 2378 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 6.93e+79, b: -19.24, Ea: 1.25716e+05} - {P: 0.1 atm, A: 7.69e+79, b: -18.83, Ea: 1.30425e+05} - {P: 1.0 atm, A: 2.34e+73, b: -16.63, Ea: 1.30412e+05} - {P: 2.0 atm, A: 5.64e+69, b: -15.52, Ea: 1.29087e+05} - {P: 5.0 atm, A: 6.77e+63, b: -13.74, Ea: 1.26353e+05} - {P: 10.0 atm, A: 4.3e+58, b: -12.21, Ea: 1.23622e+05} - {P: 20.0 atm, A: 1.06e+53, b: -10.57, Ea: 1.20451e+05} - {P: 50.0 atm, A: 2.5e+45, b: -8.36, Ea: 1.15883e+05} - equation: NC5H12 <=> C5H11-3 + H # Reaction 2379 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.49e+79, b: -19.24, Ea: 1.25716e+05} - {P: 0.1 atm, A: 3.88e+79, b: -18.84, Ea: 1.30425e+05} - {P: 1.0 atm, A: 1.18e+73, b: -16.63, Ea: 1.30412e+05} - {P: 2.0 atm, A: 2.84e+69, b: -15.52, Ea: 1.29087e+05} - {P: 5.0 atm, A: 3.41e+63, b: -13.74, Ea: 1.26353e+05} - {P: 10.0 atm, A: 2.17e+58, b: -12.21, Ea: 1.23622e+05} - {P: 20.0 atm, A: 5.32e+52, b: -10.57, Ea: 1.20451e+05} - {P: 50.0 atm, A: 1.26e+45, b: -8.36, Ea: 1.15883e+05} - equation: NC5H12 + O2 <=> C5H11-1 + HO2 # Reaction 2380 rate-constant: {A: 4.2e+13, b: 0.0, Ea: 5.28e+04} - equation: NC5H12 + O <=> C5H11-1 + OH # Reaction 2381 rate-constant: {A: 1.13e+14, b: 0.0, Ea: 7850.0} - equation: NC5H12 + H <=> C5H11-1 + H2 # Reaction 2382 rate-constant: {A: 3.49e+05, b: 2.69, Ea: 6450.0} - equation: NC5H12 + OH <=> C5H11-1 + H2O # Reaction 2383 rate-constant: {A: 2.732e+07, b: 1.813, Ea: 868.4} - equation: NC5H12 + HO2 <=> C5H11-1 + H2O2 # Reaction 2384 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: NC5H12 + CH3 <=> C5H11-1 + CH4 # Reaction 2385 rate-constant: {A: 0.904, b: 3.65, Ea: 7154.0} - equation: NC5H12 + CH3O <=> C5H11-1 + CH3OH # Reaction 2386 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: NC5H12 + CH3O2 <=> C5H11-1 + CH3O2H # Reaction 2387 rate-constant: {A: 1.386, b: 3.97, Ea: 1.828e+04} - equation: NC5H12 + C2H5 <=> C5H11-1 + C2H6 # Reaction 2388 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.34e+04} - equation: NC5H12 + C2H3 <=> C5H11-1 + C2H4 # Reaction 2389 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.8e+04} - equation: NC5H12 + O2CHO <=> C5H11-1 + HO2CHO # Reaction 2390 rate-constant: {A: 1.386, b: 3.97, Ea: 1.828e+04} - equation: NC5H12 + O2 <=> C5H11-2 + HO2 # Reaction 2391 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 5.016e+04} - equation: NC5H12 + O2 <=> C5H11-3 + HO2 # Reaction 2392 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 5.016e+04} - equation: NC5H12 + O <=> C5H11-2 + OH # Reaction 2393 rate-constant: {A: 5.62e+13, b: 0.0, Ea: 5200.0} - equation: NC5H12 + O <=> C5H11-3 + OH # Reaction 2394 rate-constant: {A: 2.81e+13, b: 0.0, Ea: 5200.0} - equation: NC5H12 + H <=> C5H11-2 + H2 # Reaction 2395 rate-constant: {A: 2.6e+06, b: 2.4, Ea: 4471.0} - equation: NC5H12 + H <=> C5H11-3 + H2 # Reaction 2396 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: NC5H12 + OH <=> C5H11-2 + H2O # Reaction 2397 rate-constant: {A: 1.411e+10, b: 0.935, Ea: 504.7} - equation: NC5H12 + OH <=> C5H11-3 + H2O # Reaction 2398 rate-constant: {A: 5.721e+06, b: 1.811, Ea: -1015.5} - equation: NC5H12 + HO2 <=> C5H11-2 + H2O2 # Reaction 2399 rate-constant: {A: 126.4, b: 3.37, Ea: 1.372e+04} - equation: NC5H12 + HO2 <=> C5H11-3 + H2O2 # Reaction 2400 rate-constant: {A: 63.2, b: 3.37, Ea: 1.372e+04} - equation: NC5H12 + CH3 <=> C5H11-2 + CH4 # Reaction 2401 rate-constant: {A: 1.68e+05, b: 2.133, Ea: 7574.0} - equation: NC5H12 + CH3 <=> C5H11-3 + CH4 # Reaction 2402 rate-constant: {A: 8.4e+04, b: 2.133, Ea: 7574.0} - equation: NC5H12 + CH3O <=> C5H11-2 + CH3OH # Reaction 2403 rate-constant: {A: 2.2e+11, b: 0.0, Ea: 5000.0} - equation: NC5H12 + CH3O <=> C5H11-3 + CH3OH # Reaction 2404 rate-constant: {A: 1.1e+11, b: 0.0, Ea: 5000.0} - equation: NC5H12 + CH3O2 <=> C5H11-2 + CH3O2H # Reaction 2405 rate-constant: {A: 20.37, b: 3.58, Ea: 1.481e+04} - equation: NC5H12 + CH3O2 <=> C5H11-3 + CH3O2H # Reaction 2406 rate-constant: {A: 10.19, b: 3.58, Ea: 1.481e+04} - equation: NC5H12 + C2H5 <=> C5H11-2 + C2H6 # Reaction 2407 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: NC5H12 + C2H5 <=> C5H11-3 + C2H6 # Reaction 2408 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: NC5H12 + C2H3 <=> C5H11-2 + C2H4 # Reaction 2409 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC5H12 + C2H3 <=> C5H11-3 + C2H4 # Reaction 2410 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC5H12 + O2CHO <=> C5H11-2 + HO2CHO # Reaction 2411 rate-constant: {A: 20.37, b: 3.58, Ea: 1.481e+04} - equation: NC5H12 + O2CHO <=> C5H11-3 + HO2CHO # Reaction 2412 rate-constant: {A: 10.19, b: 3.58, Ea: 1.481e+04} - equation: NC5H12 + C5H11-1 <=> C5H11-2 + NC5H12 # Reaction 2413 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: NC5H12 + C5H11-1 <=> C5H11-3 + NC5H12 # Reaction 2414 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: NC5H12 + C5H11-2 <=> C5H11-3 + NC5H12 # Reaction 2415 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.23e+04} - equation: C5H11-1 <=> C2H4 + NC3H7 # Reaction 2416 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 4410.0, b: 2.192, Ea: 1.8827e+04} - {P: 1.0 atm, A: 8.06e+20, b: -2.628, Ea: 2.9232e+04} - {P: 10.0 atm, A: 2.17e+28, b: -4.578, Ea: 3.4864e+04} - {P: 100.0 atm, A: 6.47e+24, b: -3.383, Ea: 3.4388e+04} - {P: 1000.0 atm, A: 2.34e+17, b: -1.123, Ea: 3.1176e+04} - equation: C5H11-1 <=> H + C5H10-1 # Reaction 2417 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 3.24e-14, b: 7.022, Ea: 1.5354e+04} - {P: 1.0 atm, A: 5.1e+12, b: -0.402, Ea: 2.9991e+04} - {P: 10.0 atm, A: 4.07e+27, b: -4.483, Ea: 3.9814e+04} - {P: 100.0 atm, A: 1.02e+26, b: -3.794, Ea: 4.0806e+04} - {P: 1000.0 atm, A: 6.52e+16, b: -0.987, Ea: 3.6957e+04} - equation: C5H11-2 <=> C3H6 + C2H5 # Reaction 2418 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 8.54e+25, b: -4.241, Ea: 3.1303e+04} - {P: 1.0 atm, A: 2.34e+31, b: -5.581, Ea: 3.5992e+04} - {P: 10.0 atm, A: 4.63e+28, b: -4.592, Ea: 3.6186e+04} - {P: 100.0 atm, A: 3.77e+20, b: -2.108, Ea: 3.2927e+04} - {P: 1000.0 atm, A: 3.56e+14, b: -0.301, Ea: 3.0124e+04} - equation: C5H11-2 <=> C5H10-1 + H # Reaction 2419 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 8.26e+10, b: -0.118, Ea: 2.9715e+04} - {P: 1.0 atm, A: 6.92e+26, b: -4.456, Ea: 3.9997e+04} - {P: 10.0 atm, A: 3.81e+29, b: -4.969, Ea: 4.3662e+04} - {P: 100.0 atm, A: 4.22e+20, b: -2.16, Ea: 4.0523e+04} - {P: 1000.0 atm, A: 5.05e+11, b: 0.526, Ea: 3.6461e+04} - equation: C5H11-2 <=> C5H10-2 + H # Reaction 2420 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 2.797e+13, b: -0.833, Ea: 3.04227e+04} - {P: 1.0 atm, A: 9.922e+27, b: -4.775, Ea: 3.9987e+04} - {P: 10.0 atm, A: 8.504e+29, b: -5.063, Ea: 4.31506e+04} - {P: 100.0 atm, A: 1.026e+21, b: -2.275, Ea: 3.99532e+04} - {P: 1000.0 atm, A: 3.141e+12, b: 0.287, Ea: 3.60682e+04} - equation: C5H11-3 <=> C4H8-1 + CH3 # Reaction 2421 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.31e+16, b: -1.137, Ea: 2.9671e+04} - {P: 1.0 atm, A: 1.85e+25, b: -3.643, Ea: 3.5787e+04} - {P: 10.0 atm, A: 1.01e+24, b: -3.13, Ea: 3.6363e+04} - {P: 100.0 atm, A: 1.98e+16, b: -0.793, Ea: 3.3017e+04} - {P: 1000.0 atm, A: 2.1e+11, b: 0.685, Ea: 3.0583e+04} - equation: C5H11-3 <=> C5H10-2 + H # Reaction 2422 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 5.119e+06, b: 1.511, Ea: 2.91387e+04} - {P: 1.0 atm, A: 4.068e+22, b: -2.949, Ea: 3.87655e+04} - {P: 10.0 atm, A: 2.298e+25, b: -3.569, Ea: 4.17772e+04} - {P: 100.0 atm, A: 8.104e+16, b: -0.983, Ea: 3.83223e+04} - {P: 1000.0 atm, A: 1.214e+10, b: 1.047, Ea: 3.50087e+04} - equation: C5H11-1 + O2 <=> C5H10-1 + HO2 # Reaction 2423 rate-constant: {A: 0.837, b: 3.59, Ea: 1.196e+04} - equation: C5H11-2 + O2 <=> C5H10-1 + HO2 # Reaction 2424 rate-constant: {A: 0.535, b: 3.71, Ea: 9322.0} - equation: C5H11-2 + O2 <=> C5H10-2 + HO2 # Reaction 2425 rate-constant: {A: 1.07, b: 3.71, Ea: 9322.0} - equation: C5H11-3 + O2 <=> C5H10-2 + HO2 # Reaction 2426 rate-constant: {A: 2.14, b: 3.71, Ea: 9322.0} - equation: C5H11-1 <=> C5H11-2 # Reaction 2427 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 1.61e+10, b: -0.128, Ea: 1.6305e+04} - {P: 1.0 atm, A: 2.88e+17, b: -2.073, Ea: 2.1414e+04} - {P: 10.0 atm, A: 5.09e+18, b: -2.284, Ea: 2.3337e+04} - {P: 100.0 atm, A: 1.38e+14, b: -0.838, Ea: 2.1871e+04} - {P: 1000.0 atm, A: 1.6e+08, b: 0.954, Ea: 1.9221e+04} - equation: C5H11-1 <=> C5H11-3 # Reaction 2428 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 6.08e-15, b: 6.876, Ea: 1.1901e+04} - {P: 1.0 atm, A: 7.68e+07, b: 0.667, Ea: 2.5012e+04} - {P: 10.0 atm, A: 1.26e+19, b: -2.35, Ea: 3.2938e+04} - {P: 100.0 atm, A: 1.16e+16, b: -1.256, Ea: 3.3072e+04} - {P: 1000.0 atm, A: 6.06e+06, b: 1.57, Ea: 2.912e+04} - equation: C5H11-2 <=> C5H11-3 # Reaction 2429 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.1 atm, A: 4.8e-04, b: 3.725, Ea: 2.8298e+04} - {P: 1.0 atm, A: 3.41e+22, b: -3.517, Ea: 4.2976e+04} - {P: 10.0 atm, A: 1.57e+32, b: -6.005, Ea: 5.0425e+04} - {P: 100.0 atm, A: 3.12e+24, b: -3.514, Ea: 4.8305e+04} - {P: 1000.0 atm, A: 1.59e+14, b: -0.404, Ea: 4.3709e+04} - equation: C5H11-1 + O2 <=> C5H11O2-1 # Reaction 2430 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: C5H11-2 + O2 <=> C5H11O2-2 # Reaction 2431 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: C5H11-3 + O2 <=> C5H11O2-3 # Reaction 2432 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: C5H11-1 + HO2 <=> C5H11O-1 + OH # Reaction 2433 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-2 + HO2 <=> C5H11O-2 + OH # Reaction 2434 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-3 + HO2 <=> C5H11O-3 + OH # Reaction 2435 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-1 + CH3O2 <=> C5H11O-1 + CH3O # Reaction 2436 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-2 + CH3O2 <=> C5H11O-2 + CH3O # Reaction 2437 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-3 + CH3O2 <=> C5H11O-3 + CH3O # Reaction 2438 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-1 + C5H11O2-1 <=> C5H11O-1 + C5H11O-1 # Reaction 2439 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-1 + C5H11O2-2 <=> C5H11O-1 + C5H11O-2 # Reaction 2440 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-1 + C5H11O2-3 <=> C5H11O-1 + C5H11O-3 # Reaction 2441 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-2 + C5H11O2-1 <=> C5H11O-2 + C5H11O-1 # Reaction 2442 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-2 + C5H11O2-2 <=> C5H11O-2 + C5H11O-2 # Reaction 2443 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-2 + C5H11O2-3 <=> C5H11O-2 + C5H11O-3 # Reaction 2444 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-3 + C5H11O2-1 <=> C5H11O-3 + C5H11O-1 # Reaction 2445 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-3 + C5H11O2-2 <=> C5H11O-3 + C5H11O-2 # Reaction 2446 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11-3 + C5H11O2-3 <=> C5H11O-3 + C5H11O-3 # Reaction 2447 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C5H11O2-1 <=> C5H10OOH1-2 # Reaction 2448 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C5H11O2-1 <=> C5H10OOH1-3 # Reaction 2449 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C5H11O2-1 <=> C5H10OOH1-4 # Reaction 2450 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C5H11O2-1 <=> C5H10OOH1-5 # Reaction 2451 rate-constant: {A: 2.941e+05, b: 1.5, Ea: 1.99e+04} - equation: C5H11O2-2 <=> C5H10OOH2-1 # Reaction 2452 rate-constant: {A: 7.29e+08, b: 1.1, Ea: 3.35e+04} - equation: C5H11O2-2 <=> C5H10OOH2-3 # Reaction 2453 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H11O2-2 <=> C5H10OOH2-4 # Reaction 2454 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.95e+04} - equation: C5H11O2-2 <=> C5H10OOH2-5 # Reaction 2455 rate-constant: {A: 6.17e+05, b: 1.5, Ea: 2.0e+04} - equation: C5H11O2-3 <=> C5H10OOH3-1 # Reaction 2456 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: C5H11O2-3 <=> C5H10OOH3-2 # Reaction 2457 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 3.05e+04} - equation: C5H11O2-1 <=> PC4H9CHO + OH # Reaction 2458 rate-constant: {A: 1.984e+09, b: 1.2, Ea: 3.97e+04} - equation: C5H11O2-2 <=> NC3H7COCH3 + OH # Reaction 2459 rate-constant: {A: 5.3e+09, b: 1.0, Ea: 3.85e+04} - equation: C5H11O2-3 <=> C2H5COC2H5 + OH # Reaction 2460 rate-constant: {A: 5.3e+09, b: 1.0, Ea: 3.85e+04} - equation: C5H11O2-1 <=> C5H10-1 + HO2 # Reaction 2461 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C5H11O2-2 <=> C5H10-1 + HO2 # Reaction 2462 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C5H11O2-2 <=> C5H10-2 + HO2 # Reaction 2463 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C5H11O2-3 <=> C5H10-2 + HO2 # Reaction 2464 rate-constant: {A: 7.2e+10, b: 0.73, Ea: 3.0883e+04} - equation: C5H11O2H-1 + O2 <=> C5H11O2-1 + HO2 # Reaction 2465 rate-constant: {A: 3.746e+13, b: -0.791, Ea: 3.362e+04} - equation: C5H11O2H-2 + O2 <=> C5H11O2-2 + HO2 # Reaction 2466 rate-constant: {A: 4.38e+13, b: -0.812, Ea: 3.364e+04} - equation: C5H11O2H-3 + O2 <=> C5H11O2-3 + HO2 # Reaction 2467 rate-constant: {A: 4.38e+13, b: -0.812, Ea: 3.364e+04} - equation: C5H11O2H-1 + HO2 <=> C5H11O2-1 + H2O2 # Reaction 2468 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C5H11O2H-2 + HO2 <=> C5H11O2-2 + H2O2 # Reaction 2469 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C5H11O2H-3 + HO2 <=> C5H11O2-3 + H2O2 # Reaction 2470 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: NC5H12 + C5H11O2-1 <=> C5H11-1 + C5H11O2H-1 # Reaction 2471 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: NC5H12 + C5H11O2-2 <=> C5H11-1 + C5H11O2H-2 # Reaction 2472 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: NC5H12 + C5H11O2-3 <=> C5H11-1 + C5H11O2H-3 # Reaction 2473 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: NC5H12 + C5H11O2-1 <=> C5H11-2 + C5H11O2H-1 # Reaction 2474 rate-constant: {A: 8.064e+12, b: 0.0, Ea: 1.77e+04} - equation: NC5H12 + C5H11O2-2 <=> C5H11-2 + C5H11O2H-2 # Reaction 2475 rate-constant: {A: 8.064e+12, b: 0.0, Ea: 1.77e+04} - equation: NC5H12 + C5H11O2-3 <=> C5H11-2 + C5H11O2H-3 # Reaction 2476 rate-constant: {A: 8.064e+12, b: 0.0, Ea: 1.77e+04} - equation: NC5H12 + C5H11O2-1 <=> C5H11-3 + C5H11O2H-1 # Reaction 2477 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: NC5H12 + C5H11O2-2 <=> C5H11-3 + C5H11O2H-2 # Reaction 2478 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: NC5H12 + C5H11O2-3 <=> C5H11-3 + C5H11O2H-3 # Reaction 2479 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: C5H11O2-1 + CH3O2 => C5H11O-1 + CH3O + O2 # Reaction 2480 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-2 + CH3O2 => C5H11O-2 + CH3O + O2 # Reaction 2481 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-3 + CH3O2 => C5H11O-3 + CH3O + O2 # Reaction 2482 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + C5H11O2-1 => C5H11O-1 + C5H11O-1 + O2 # Reaction 2483 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + C5H11O2-2 => C5H11O-1 + C5H11O-2 + O2 # Reaction 2484 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + C5H11O2-3 => C5H11O-1 + C5H11O-3 + O2 # Reaction 2485 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-2 + C5H11O2-2 => C5H11O-2 + C5H11O-2 + O2 # Reaction 2486 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-2 + C5H11O2-3 => C5H11O-2 + C5H11O-3 + O2 # Reaction 2487 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-3 + C5H11O2-3 => C5H11O-3 + C5H11O-3 + O2 # Reaction 2488 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + CH3O2 => PC4H9CHO + CH3OH + O2 # Reaction 2489 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + CH3O2 => NC5H11OH + CH2O + O2 # Reaction 2490 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-2 + CH3O2 => NC3H7COCH3 + CH3OH + O2 # Reaction 2491 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-3 + CH3O2 => C2H5COC2H5 + CH3OH + O2 # Reaction 2492 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + C2H5O2 => PC4H9CHO + C2H5OH + O2 # Reaction 2493 rate-constant: {A: 3.5e+15, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + C2H5O2 => NC5H11OH + CH3CHO + O2 # Reaction 2494 rate-constant: {A: 3.5e+15, b: -1.61, Ea: 1860.0} - equation: C5H11O2-2 + C2H5O2 => NC3H7COCH3 + C2H5OH + O2 # Reaction 2495 rate-constant: {A: 3.5e+15, b: -1.61, Ea: 1860.0} - equation: C5H11O2-3 + C2H5O2 => C2H5COC2H5 + C2H5OH + O2 # Reaction 2496 rate-constant: {A: 3.5e+15, b: -1.61, Ea: 1860.0} - equation: C5H11O2-1 + C5H11O2-1 => PC4H9CHO + NC5H11OH + O2 # Reaction 2497 rate-constant: {A: 3.5e+15, b: -1.61, Ea: 1860.0} - equation: C5H11O2H-1 <=> C5H11O-1 + OH # Reaction 2498 rate-constant: {A: 7.303e+18, b: -0.89, Ea: 4.563e+04} - equation: C5H11O2H-2 <=> C5H11O-2 + OH # Reaction 2499 rate-constant: {A: 4.232e+20, b: -1.4, Ea: 4.575e+04} - equation: C5H11O2H-3 <=> C5H11O-3 + OH # Reaction 2500 rate-constant: {A: 1.422e+20, b: -1.34, Ea: 4.569e+04} - equation: C5H11O2H-1 + OH => PC4H9CHO + H2O + OH # Reaction 2501 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C5H11O2H-2 + OH => NC3H7COCH3 + H2O + OH # Reaction 2502 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C5H11O2H-3 + OH => C2H5COC2H5 + H2O + OH # Reaction 2503 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: CH2O + PC4H9 <=> C5H11O-1 # Reaction 2504 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 3457.0} - equation: CH3CHO + NC3H7 <=> C5H11O-2 # Reaction 2505 rate-constant: {A: 3.33e+10, b: 0.0, Ea: 6397.0} - equation: C2H5 + C2H5CHO <=> C5H11O-3 # Reaction 2506 rate-constant: {A: 1.67e+10, b: 0.0, Ea: 6193.0} - equation: C5H10OOH1-2 <=> C5H10O1-2 + OH # Reaction 2507 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.9e+07, b: -0.19, Ea: 1871.0} - {P: 0.1 atm, A: 3.12e+15, b: -2.19, Ea: 5978.0} - {P: 1.0 atm, A: 3.24e+24, b: -4.48, Ea: 1.1337e+04} - {P: 2.0 atm, A: 7.6e+26, b: -5.06, Ea: 1.2972e+04} - {P: 5.0 atm, A: 1.8e+29, b: -5.59, Ea: 1.4912e+04} - {P: 10.0 atm, A: 1.52e+30, b: -5.73, Ea: 1.6062e+04} - {P: 20.0 atm, A: 1.32e+30, b: -5.57, Ea: 1.6802e+04} - {P: 50.0 atm, A: 2.46e+28, b: -4.89, Ea: 1.702e+04} - {P: 100.0 atm, A: 1.15e+26, b: -4.09, Ea: 1.665e+04} - equation: C5H10OOH1-3 <=> C5H10O1-3 + OH # Reaction 2508 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.24e+40, b: -9.57, Ea: 2.5269e+04} - {P: 0.1 atm, A: 2.43e+26, b: -4.87, Ea: 2.1713e+04} - {P: 1.0 atm, A: 2.9e+12, b: -0.48, Ea: 1.6944e+04} - {P: 2.0 atm, A: 3.68e+10, b: 0.11, Ea: 1.6258e+04} - {P: 5.0 atm, A: 1.71e+09, b: 0.52, Ea: 1.5773e+04} - {P: 10.0 atm, A: 5.61e+08, b: 0.68, Ea: 1.5596e+04} - {P: 20.0 atm, A: 3.15e+08, b: 0.75, Ea: 1.5504e+04} - {P: 50.0 atm, A: 2.21e+08, b: 0.8, Ea: 1.5448e+04} - {P: 100.0 atm, A: 1.96e+08, b: 0.82, Ea: 1.5429e+04} - equation: C5H10OOH1-4 <=> C5H10O1-4 + OH # Reaction 2509 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.47e+18, b: -3.06, Ea: 1.0191e+04} - {P: 0.1 atm, A: 2.8e+14, b: -1.59, Ea: 1.0655e+04} - {P: 1.0 atm, A: 5.97e+09, b: -0.07, Ea: 9377.0} - {P: 2.0 atm, A: 2.06e+09, b: 0.08, Ea: 9236.0} - {P: 5.0 atm, A: 1.04e+09, b: 0.18, Ea: 9144.0} - {P: 10.0 atm, A: 8.2e+08, b: 0.21, Ea: 9112.0} - {P: 20.0 atm, A: 7.28e+08, b: 0.23, Ea: 9096.0} - {P: 50.0 atm, A: 6.77e+08, b: 0.24, Ea: 9086.0} - {P: 100.0 atm, A: 6.61e+08, b: 0.24, Ea: 9083.0} - equation: C5H10OOH1-5 <=> C5H10O1-5 + OH # Reaction 2510 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.33e+12, b: -1.19, Ea: 1.0872e+04} - {P: 0.1 atm, A: 1.86e+08, b: 0.06, Ea: 9760.0} - {P: 1.0 atm, A: 4.68e+07, b: 0.26, Ea: 9574.0} - {P: 2.0 atm, A: 4.32e+07, b: 0.27, Ea: 9563.0} - {P: 5.0 atm, A: 4.11e+07, b: 0.27, Ea: 9556.0} - {P: 10.0 atm, A: 4.04e+07, b: 0.28, Ea: 9554.0} - {P: 20.0 atm, A: 4.01e+07, b: 0.28, Ea: 9553.0} - {P: 50.0 atm, A: 3.99e+07, b: 0.28, Ea: 9552.0} - {P: 100.0 atm, A: 3.98e+07, b: 0.28, Ea: 9552.0} - equation: C5H10OOH2-1 <=> C5H10O1-2 + OH # Reaction 2511 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.8e+05, b: 0.52, Ea: 1289.0} - {P: 0.1 atm, A: 6.62e+15, b: -2.2, Ea: 6879.0} - {P: 1.0 atm, A: 1.95e+25, b: -4.6, Ea: 1.3023e+04} - {P: 2.0 atm, A: 4.99e+26, b: -4.88, Ea: 1.4402e+04} - {P: 5.0 atm, A: 5.55e+26, b: -4.71, Ea: 1.5465e+04} - {P: 10.0 atm, A: 2.07e+25, b: -4.16, Ea: 1.5596e+04} - {P: 20.0 atm, A: 8.13e+22, b: -3.33, Ea: 1.5213e+04} - {P: 50.0 atm, A: 1.54e+19, b: -2.1, Ea: 1.4271e+04} - {P: 100.0 atm, A: 5.36e+16, b: -1.31, Ea: 1.3545e+04} - equation: C5H10OOH2-3 <=> C5H10O2-3 + OH # Reaction 2512 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 0.0738, b: 2.49, Ea: -1612.0} - {P: 0.1 atm, A: 2.87e+09, b: -0.29, Ea: 4045.0} - {P: 1.0 atm, A: 2.11e+18, b: -2.51, Ea: 9989.0} - {P: 2.0 atm, A: 7.99e+18, b: -2.55, Ea: 1.1002e+04} - {P: 5.0 atm, A: 3.74e+17, b: -1.98, Ea: 1.1395e+04} - {P: 10.0 atm, A: 2.23e+15, b: -1.21, Ea: 1.1062e+04} - {P: 20.0 atm, A: 5.53e+12, b: -0.35, Ea: 1.043e+04} - {P: 50.0 atm, A: 5.71e+09, b: 0.62, Ea: 9572.0} - {P: 100.0 atm, A: 1.69e+08, b: 1.11, Ea: 9099.0} - equation: C5H10OOH2-3 <=> C5H10O2-3 + OH # Reaction 2513 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 882.0, b: 1.33, Ea: 904.0} - {P: 0.1 atm, A: 4.38e+12, b: -1.16, Ea: 6812.0} - {P: 1.0 atm, A: 5.11e+13, b: -1.08, Ea: 9522.0} - {P: 2.0 atm, A: 1.05e+12, b: -0.48, Ea: 9319.0} - {P: 5.0 atm, A: 4.76e+09, b: 0.3, Ea: 8791.0} - {P: 10.0 atm, A: 2.17e+08, b: 0.74, Ea: 8430.0} - {P: 20.0 atm, A: 2.92e+07, b: 1.02, Ea: 8181.0} - {P: 50.0 atm, A: 7.12e+06, b: 1.22, Ea: 8001.0} - {P: 100.0 atm, A: 4.26e+06, b: 1.29, Ea: 7934.0} - equation: C5H10OOH2-4 <=> C5H10O2-4 + OH # Reaction 2514 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.57e+32, b: -7.03, Ea: 2.2485e+04} - {P: 0.1 atm, A: 2.91e+16, b: -1.95, Ea: 1.7872e+04} - {P: 1.0 atm, A: 3.48e+06, b: 1.17, Ea: 1.44e+04} - {P: 2.0 atm, A: 3.33e+05, b: 1.48, Ea: 1.4031e+04} - {P: 5.0 atm, A: 7.18e+04, b: 1.69, Ea: 1.3788e+04} - {P: 10.0 atm, A: 4.2e+04, b: 1.76, Ea: 1.3704e+04} - {P: 20.0 atm, A: 3.2e+04, b: 1.8, Ea: 1.366e+04} - {P: 50.0 atm, A: 2.71e+04, b: 1.82, Ea: 1.3634e+04} - {P: 100.0 atm, A: 2.57e+04, b: 1.83, Ea: 1.3625e+04} - equation: C5H10OOH2-4 <=> C5H10O2-4 + OH # Reaction 2515 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.14e+36, b: -8.19, Ea: 2.3953e+04} - {P: 0.1 atm, A: 2.24e+20, b: -3.08, Ea: 1.9618e+04} - {P: 1.0 atm, A: 2.86e+07, b: 0.97, Ea: 1.5137e+04} - {P: 2.0 atm, A: 7.11e+05, b: 1.47, Ea: 1.4555e+04} - {P: 5.0 atm, A: 5.64e+04, b: 1.82, Ea: 1.4153e+04} - {P: 10.0 atm, A: 2.27e+04, b: 1.94, Ea: 1.4008e+04} - {P: 20.0 atm, A: 1.42e+04, b: 2.0, Ea: 1.3933e+04} - {P: 50.0 atm, A: 1.07e+04, b: 2.04, Ea: 1.3887e+04} - {P: 100.0 atm, A: 9710.0, b: 2.06, Ea: 1.3872e+04} - equation: C5H10OOH2-5 <=> C5H10O1-4 + OH # Reaction 2516 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.52e+20, b: -3.62, Ea: 1.3849e+04} - {P: 0.1 atm, A: 1.09e+12, b: -0.82, Ea: 1.1988e+04} - {P: 1.0 atm, A: 9.19e+07, b: 0.48, Ea: 1.0691e+04} - {P: 2.0 atm, A: 4.39e+07, b: 0.58, Ea: 1.0585e+04} - {P: 5.0 atm, A: 2.77e+07, b: 0.64, Ea: 1.0518e+04} - {P: 10.0 atm, A: 2.37e+07, b: 0.66, Ea: 1.0496e+04} - {P: 20.0 atm, A: 2.19e+07, b: 0.67, Ea: 1.0484e+04} - {P: 50.0 atm, A: 2.09e+07, b: 0.68, Ea: 1.0477e+04} - {P: 100.0 atm, A: 2.06e+07, b: 0.68, Ea: 1.0475e+04} - equation: C5H10OOH3-1 <=> C5H10O1-3 + OH # Reaction 2517 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.63e+42, b: -9.99, Ea: 2.8572e+04} - {P: 0.1 atm, A: 4.28e+25, b: -4.56, Ea: 2.3726e+04} - {P: 1.0 atm, A: 1.02e+12, b: -0.29, Ea: 1.893e+04} - {P: 2.0 atm, A: 1.76e+10, b: 0.26, Ea: 1.8283e+04} - {P: 5.0 atm, A: 1.04e+09, b: 0.64, Ea: 1.783e+04} - {P: 10.0 atm, A: 3.75e+08, b: 0.78, Ea: 1.7665e+04} - {P: 20.0 atm, A: 2.21e+08, b: 0.85, Ea: 1.758e+04} - {P: 50.0 atm, A: 1.6e+08, b: 0.9, Ea: 1.7528e+04} - {P: 100.0 atm, A: 1.43e+08, b: 0.91, Ea: 1.751e+04} - equation: C5H10OOH3-2 <=> C5H10O2-3 + OH # Reaction 2518 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 7.37e+08, b: -0.39, Ea: 4687.0} - {P: 0.1 atm, A: 3.62e+14, b: -1.67, Ea: 9295.0} - {P: 1.0 atm, A: 5.6e+10, b: -0.22, Ea: 9449.0} - {P: 2.0 atm, A: 2.08e+09, b: 0.25, Ea: 9104.0} - {P: 5.0 atm, A: 1.18e+08, b: 0.66, Ea: 8769.0} - {P: 10.0 atm, A: 3.61e+07, b: 0.83, Ea: 8623.0} - {P: 20.0 atm, A: 1.88e+07, b: 0.92, Ea: 8542.0} - {P: 50.0 atm, A: 1.25e+07, b: 0.98, Ea: 8490.0} - {P: 100.0 atm, A: 1.08e+07, b: 1.0, Ea: 8472.0} - equation: C5H10OOH3-2 <=> C5H10O2-3 + OH # Reaction 2519 type: pressure-dependent-Arrhenius duplicate: true rate-constants: - {P: 0.01 atm, A: 1.57, b: 2.1, Ea: -841.0} - {P: 0.1 atm, A: 3.25e+10, b: -0.59, Ea: 4837.0} - {P: 1.0 atm, A: 3.93e+17, b: -2.28, Ea: 1.0081e+04} - {P: 2.0 atm, A: 3.22e+17, b: -2.12, Ea: 1.0773e+04} - {P: 5.0 atm, A: 4.63e+15, b: -1.42, Ea: 1.0845e+04} - {P: 10.0 atm, A: 3.34e+13, b: -0.69, Ea: 1.0443e+04} - {P: 20.0 atm, A: 2.47e+11, b: 0.01, Ea: 9905.0} - {P: 50.0 atm, A: 1.91e+09, b: 0.69, Ea: 9301.0} - {P: 100.0 atm, A: 2.07e+08, b: 1.0, Ea: 9009.0} - equation: C5H10OOH1-2 <=> C5H10-1 + HO2 # Reaction 2520 rate-constant: {A: 1.04e+10, b: 0.94, Ea: 1.51e+04} - equation: C5H10OOH2-1 <=> C5H10-1 + HO2 # Reaction 2521 rate-constant: {A: 2.21e+12, b: 0.23, Ea: 1.56e+04} - equation: C5H10OOH2-3 <=> C5H10-2 + HO2 # Reaction 2522 rate-constant: {A: 4.543e+10, b: 0.751, Ea: 1.51e+04} - equation: C5H10OOH3-2 <=> C5H10-2 + HO2 # Reaction 2523 rate-constant: {A: 4.066e+10, b: 0.678, Ea: 1.5034e+04} - equation: C5H10OOH1-3 => OH + CH2O + C4H8-1 # Reaction 2524 rate-constant: {A: 9.1e+08, b: 1.4, Ea: 2.55e+04} - equation: C5H10OOH2-4 => OH + CH3CHO + C3H6 # Reaction 2525 rate-constant: {A: 1.18e+09, b: 1.2, Ea: 2.27e+04} - equation: C5H10OOH3-1 => OH + C2H5CHO + C2H4 # Reaction 2526 rate-constant: {A: 3.096e+18, b: -1.73, Ea: 2.682e+04} - equation: C5H10OOH1-2 <=> C2H5 + AC3H5OOH # Reaction 2527 rate-constant: {A: 2.41e+10, b: 1.02, Ea: 2.82e+04} - equation: C5H10OOH1-4 <=> C3H6 + C2H4O2H # Reaction 2528 rate-constant: {A: 5.08e+11, b: 0.7, Ea: 2.87e+04} - equation: C5H10OOH2-5 <=> C2H4 + C3H6OOH2-1 # Reaction 2529 rate-constant: {A: 6.86e+13, b: 0.1, Ea: 2.9e+04} - equation: C5H10OOH1-2 + O2 <=> C5H10OOH1-2O2 # Reaction 2530 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: C5H10OOH1-3 + O2 <=> C5H10OOH1-3O2 # Reaction 2531 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: C5H10OOH1-4 + O2 <=> C5H10OOH1-4O2 # Reaction 2532 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: C5H10OOH1-5 + O2 <=> C5H10OOH1-5O2 # Reaction 2533 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: C5H10OOH2-1 + O2 <=> C5H10OOH2-1O2 # Reaction 2534 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: C5H10OOH2-3 + O2 <=> C5H10OOH2-3O2 # Reaction 2535 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: C5H10OOH2-4 + O2 <=> C5H10OOH2-4O2 # Reaction 2536 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: C5H10OOH2-5 + O2 <=> C5H10OOH2-5O2 # Reaction 2537 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: C5H10OOH3-1 + O2 <=> C5H10OOH3-1O2 # Reaction 2538 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: C5H10OOH3-2 + O2 <=> C5H10OOH3-2O2 # Reaction 2539 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: C5H10OOH1-2O2 <=> C5H92-1OOH + HO2 # Reaction 2540 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C5H10OOH1-3O2 <=> C5H92-1OOH + HO2 # Reaction 2541 rate-constant: {A: 3.6e+10, b: 0.73, Ea: 2.9883e+04} - equation: C5H10OOH1-3O2 <=> C5H92-5OOH + HO2 # Reaction 2542 rate-constant: {A: 3.6e+10, b: 0.73, Ea: 2.9883e+04} - equation: C5H10OOH1-4O2 <=> C5H91-5OOH + HO2 # Reaction 2543 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C5H10OOH1-4O2 <=> C5H92-5OOH + HO2 # Reaction 2544 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C5H10OOH1-5O2 <=> C5H91-5OOH + HO2 # Reaction 2545 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C5H10OOH2-3O2 <=> C5H92-4OOH + HO2 # Reaction 2546 rate-constant: {A: 3.6e+10, b: 0.73, Ea: 2.9883e+04} - equation: C5H10OOH2-4O2 <=> C5H92-4OOH + HO2 # Reaction 2547 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C5H10OOH2-4O2 <=> C5H91-4OOH + HO2 # Reaction 2548 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C5H10OOH2-5O2 <=> C5H91-4OOH + HO2 # Reaction 2549 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C5H10OOH3-1O2 <=> C5H91-3OOH + HO2 # Reaction 2550 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C5H10OOH3-2O2 <=> C5H91-3OOH + HO2 # Reaction 2551 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C5H10OOH1-2O2 <=> C5H93-1,2OOH # Reaction 2552 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H10OOH1-2O2 <=> C5H92-4,5OOH # Reaction 2553 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C5H10OOH1-2O2 <=> C5H91-4,5OOH # Reaction 2554 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C5H10OOH1-3O2 <=> C5H92-1,3OOH # Reaction 2555 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H10OOH1-3O2 <=> C5H92-3,5OOH # Reaction 2556 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H10OOH1-3O2 <=> C5H91-3,5OOH # Reaction 2557 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: C5H10OOH1-4O2 <=> C5H92-1,4OOH # Reaction 2558 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C5H10OOH1-4O2 <=> C5H93-1,4OOH # Reaction 2559 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H10OOH1-4O2 <=> C5H91-2,5OOH # Reaction 2560 rate-constant: {A: 7.29e+08, b: 1.1, Ea: 3.35e+04} - equation: C5H10OOH1-5O2 <=> C5H92-1,5OOH # Reaction 2561 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} duplicate: true - equation: C5H10OOH1-5O2 <=> C5H93-1,5OOH # Reaction 2562 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C5H10OOH1-5O2 <=> C5H92-1,5OOH # Reaction 2563 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} duplicate: true - equation: C5H10OOH2-1O2 <=> C5H93-1,2OOH # Reaction 2564 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C5H10OOH2-1O2 <=> C5H92-4,5OOH # Reaction 2565 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C5H10OOH2-1O2 <=> C5H91-4,5OOH # Reaction 2566 rate-constant: {A: 2.941e+05, b: 1.5, Ea: 1.99e+04} - equation: C5H10OOH2-3O2 <=> C5H91-2,3OOH # Reaction 2567 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: C5H10OOH2-3O2 <=> C5H92-3,4OOH # Reaction 2568 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H10OOH2-3O2 <=> C5H91-3,4OOH # Reaction 2569 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: C5H10OOH2-4O2 <=> C5H91-2,4OOH # Reaction 2570 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} duplicate: true - equation: C5H10OOH2-4O2 <=> C5H93-2,4OOH # Reaction 2571 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C5H10OOH2-4O2 <=> C5H91-2,4OOH # Reaction 2572 rate-constant: {A: 7.29e+08, b: 1.1, Ea: 3.35e+04} duplicate: true - equation: C5H10OOH2-5O2 <=> C5H91-2,5OOH # Reaction 2573 rate-constant: {A: 2.941e+05, b: 1.5, Ea: 1.99e+04} - equation: C5H10OOH2-5O2 <=> C5H93-1,4OOH # Reaction 2574 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C5H10OOH2-5O2 <=> C5H92-1,4OOH # Reaction 2575 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C5H10OOH3-1O2 <=> C5H92-1,3OOH # Reaction 2576 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C5H10OOH3-1O2 <=> C5H92-3,5OOH # Reaction 2577 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C5H10OOH3-1O2 <=> C5H91-3,5OOH # Reaction 2578 rate-constant: {A: 2.941e+05, b: 1.5, Ea: 1.99e+04} - equation: C5H10OOH3-2O2 <=> C5H91-2,3OOH # Reaction 2579 rate-constant: {A: 7.29e+08, b: 1.1, Ea: 3.35e+04} - equation: C5H10OOH3-2O2 <=> C5H92-3,4OOH # Reaction 2580 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C5H10OOH3-2O2 <=> C5H91-3,4OOH # Reaction 2581 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C5H10OOH1-2O2 <=> NC5KET12 + OH # Reaction 2582 rate-constant: {A: 2.441e+07, b: 1.6, Ea: 2.79e+04} - equation: C5H10OOH1-3O2 <=> NC5KET13 + OH # Reaction 2583 rate-constant: {A: 1.098e+04, b: 2.4, Ea: 1.99e+04} - equation: C5H10OOH1-4O2 <=> NC5KET14 + OH # Reaction 2584 rate-constant: {A: 1256.0, b: 2.2, Ea: 1.74e+04} - equation: C5H10OOH1-5O2 <=> NC5KET15 + OH # Reaction 2585 rate-constant: {A: 1115.0, b: 1.8, Ea: 1.66e+04} - equation: C5H10OOH2-1O2 <=> NC5KET21 + OH # Reaction 2586 rate-constant: {A: 2.763e+08, b: 1.2, Ea: 2.57e+04} - equation: C5H10OOH2-3O2 <=> NC5KET23 + OH # Reaction 2587 rate-constant: {A: 1.748e+08, b: 1.7, Ea: 2.6e+04} - equation: C5H10OOH2-4O2 <=> NC5KET24 + OH # Reaction 2588 rate-constant: {A: 175.4, b: 3.1, Ea: 1.75e+04} - equation: C5H10OOH2-5O2 <=> NC5KET25 + OH # Reaction 2589 rate-constant: {A: 376.8, b: 2.2, Ea: 1.53e+04} - equation: C5H10OOH3-1O2 <=> NC5KET31 + OH # Reaction 2590 rate-constant: {A: 57.86, b: 2.9, Ea: 1.7e+04} - equation: C5H10OOH3-2O2 <=> NC5KET32 + OH # Reaction 2591 rate-constant: {A: 1.748e+08, b: 1.7, Ea: 2.6e+04} - equation: C5H10OOH1-3O2 + C5H10OOH1-3O2 => NC5KET31 + C5H10OOH1-3OH + O2 # Reaction 2592 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH1-3O2 + C5H10OOH2-4O2 => NC5KET31 + C5H10OOH2-4OH + O2 # Reaction 2593 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH1-3O2 + C5H10OOH2-4O2 => NC5KET24 + C5H10OOH1-3OH + O2 # Reaction 2594 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH1-3O2 + C5H10OOH3-1O2 => NC5KET31 + C5H10OOH3-1OH + O2 # Reaction 2595 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH1-3O2 + C5H10OOH3-1O2 => NC5KET13 + C5H10OOH1-3OH + O2 # Reaction 2596 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH2-4O2 + C5H10OOH2-4O2 => NC5KET24 + C5H10OOH2-4OH + O2 # Reaction 2597 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH2-4O2 + C5H10OOH3-1O2 => NC5KET24 + C5H10OOH3-1OH + O2 # Reaction 2598 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH2-4O2 + C5H10OOH3-1O2 => NC5KET13 + C5H10OOH2-4OH + O2 # Reaction 2599 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H10OOH3-1O2 + C5H10OOH3-1O2 => NC5KET13 + C5H10OOH3-1OH + O2 # Reaction 2600 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: C5H91-3,4OOH => C3KET12 + C2H4 + OH # Reaction 2601 rate-constant: {A: 3.096e+18, b: -1.73, Ea: 2.682e+04} - equation: C5H91-3,5OOH => C3KET13 + C2H4 + OH # Reaction 2602 rate-constant: {A: 3.096e+18, b: -1.73, Ea: 2.682e+04} - equation: C5H91-4,5OOH => AC3H5OOH + C2H4 + HO2 # Reaction 2603 rate-constant: {A: 6.86e+13, b: 0.1, Ea: 2.9e+04} - equation: C5H92-1,4OOH => AC3H5OOH + CH3CHO + OH # Reaction 2604 rate-constant: {A: 2.41e+10, b: 1.02, Ea: 2.82e+04} - equation: C5H92-1,5OOH <=> AC3H5OOH + C2H4O2H # Reaction 2605 rate-constant: {A: 2.41e+10, b: 1.02, Ea: 2.82e+04} - equation: C5H92-4,5OOH => HO2CH2CHO + C3H6 + OH # Reaction 2606 rate-constant: {A: 1.18e+09, b: 1.2, Ea: 2.27e+04} - equation: C5H93-1,4OOH => CH2O + C4H71-3OOH + OH # Reaction 2607 rate-constant: {A: 9.1e+08, b: 1.4, Ea: 2.55e+04} - equation: C5H93-1,5OOH => CH2O + C4H71-4OOH + OH # Reaction 2608 rate-constant: {A: 1.82e+09, b: 1.4, Ea: 2.55e+04} - equation: NC5KET12 <=> NC5KET12O + OH # Reaction 2609 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: NC5KET13 <=> NC5KET13O + OH # Reaction 2610 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: NC5KET14 <=> NC5KET14O + OH # Reaction 2611 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: NC5KET15 <=> NC5KET15O + OH # Reaction 2612 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: NC5KET21 <=> NC5KET21O + OH # Reaction 2613 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: NC5KET23 <=> NC5KET23O + OH # Reaction 2614 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: NC5KET24 <=> NC5KET24O + OH # Reaction 2615 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: NC5KET25 <=> NC5KET25O + OH # Reaction 2616 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: NC5KET31 <=> NC5KET31O + OH # Reaction 2617 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: NC5KET32 <=> NC5KET32O + OH # Reaction 2618 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: NC5KET12O <=> NC3H7CHO + HCO # Reaction 2619 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET13O <=> C2H5CHO + CH2CHO # Reaction 2620 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET14O <=> CH3CHO + CH2CH2CHO # Reaction 2621 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET15O <=> CH2O + C3H6CHO-1 # Reaction 2622 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET21O <=> CH2O + NC3H7CO # Reaction 2623 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET23O <=> C2H5CHO + CH3CO # Reaction 2624 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET24O <=> CH3CHO + CH3COCH2 # Reaction 2625 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET25O <=> CH2O + CH2CH2COCH3 # Reaction 2626 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET31O <=> C2H5COCH2 + CH2O # Reaction 2627 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET32O <=> CH3CHO + C2H5CO # Reaction 2628 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: NC5KET13 <=> NC5CYCPER13 # Reaction 2629 rate-constant: {A: 2.1e+08, b: 0.0, Ea: 2.8e+04} - equation: NC5KET24 <=> NC5CYCPER24 # Reaction 2630 rate-constant: {A: 2.1e+08, b: 0.0, Ea: 2.8e+04} - equation: NC5KET31 <=> NC5CYCPER31 # Reaction 2631 rate-constant: {A: 2.1e+08, b: 0.0, Ea: 2.8e+04} - equation: NC5CYCPER13 <=> HOCHO + C2H5COCH3 # Reaction 2632 rate-constant: {A: 3.4e+13, b: 0.0, Ea: 3.44e+04} - equation: NC5CYCPER13 <=> CH3COOH + C2H5CHO # Reaction 2633 rate-constant: {A: 3.7e+13, b: 0.0, Ea: 3.68e+04} - equation: NC5CYCPER24 <=> CH3COOH + CH3COCH3 # Reaction 2634 rate-constant: {A: 3.4e+13, b: 0.0, Ea: 3.44e+04} - equation: NC5CYCPER31 <=> C2H5COOH + CH3CHO # Reaction 2635 rate-constant: {A: 3.4e+13, b: 0.0, Ea: 3.44e+04} - equation: C5H10OOH1-3OH => CH2O + SC4H8OH-1 + OH # Reaction 2636 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H10OOH2-4OH => CH3CHO + C3H6OH2-1 + OH # Reaction 2637 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H10OOH3-1OH => C2H5CHO + PC2H4OH + OH # Reaction 2638 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: NC5KET13 + OH => NC5DIONE13 + OH + H2O # Reaction 2639 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: NC5KET24 + OH => NC5DIONE24 + OH + H2O # Reaction 2640 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: NC5KET31 + OH => NC5DIONE13 + OH + H2O # Reaction 2641 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C5H91-2,3OOH <=> C5H91-3OOH + HO2 # Reaction 2642 rate-constant: {A: 2.21e+12, b: 0.23, Ea: 1.56e+04} - equation: C5H91-2,4OOH <=> C5H91-4OOH + HO2 # Reaction 2643 rate-constant: {A: 2.21e+12, b: 0.23, Ea: 1.56e+04} - equation: C5H91-2,5OOH <=> C5H91-5OOH + HO2 # Reaction 2644 rate-constant: {A: 2.21e+12, b: 0.23, Ea: 1.56e+04} - equation: C5H92-1,3OOH <=> C5H91-3OOH + HO2 # Reaction 2645 rate-constant: {A: 1.04e+10, b: 0.94, Ea: 1.51e+04} - equation: C5H92-1,3OOH <=> C5H92-1OOH + HO2 # Reaction 2646 rate-constant: {A: 4.066e+10, b: 0.678, Ea: 1.5034e+04} - equation: C5H92-1,4OOH <=> C5H91-4OOH + HO2 # Reaction 2647 rate-constant: {A: 1.04e+10, b: 0.94, Ea: 1.51e+04} - equation: C5H92-1,5OOH <=> C5H91-5OOH + HO2 # Reaction 2648 rate-constant: {A: 1.04e+10, b: 0.94, Ea: 1.51e+04} - equation: C5H92-3,4OOH <=> C5H92-4OOH + HO2 # Reaction 2649 rate-constant: {A: 4.066e+10, b: 0.678, Ea: 1.5034e+04} - equation: C5H92-3,5OOH <=> C5H92-5OOH + HO2 # Reaction 2650 rate-constant: {A: 4.066e+10, b: 0.678, Ea: 1.5034e+04} - equation: C5H93-1,2OOH <=> C5H92-1OOH + HO2 # Reaction 2651 rate-constant: {A: 4.543e+10, b: 0.751, Ea: 1.51e+04} - equation: C5H93-1,4OOH <=> C5H92-5OOH + HO2 # Reaction 2652 rate-constant: {A: 4.543e+10, b: 0.751, Ea: 1.51e+04} - equation: C5H93-2,4OOH <=> C5H92-4OOH + HO2 # Reaction 2653 rate-constant: {A: 9.086e+10, b: 0.751, Ea: 1.51e+04} - equation: C5H91-3OOH => C2H5CHO + C2H3 + OH # Reaction 2654 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H91-3OOH => C2H3CHO + C2H5 + OH # Reaction 2655 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H91-4OOH => CH3CHO + C3H5-A + OH # Reaction 2656 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H91-4OOH => SC3H5CHO + CH3 + OH # Reaction 2657 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H91-5OOH => CH2O + C4H71-4 + OH # Reaction 2658 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H92-1OOH => CH2O + C4H71-1 + OH # Reaction 2659 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H92-4OOH => CH3CHO + C3H5-S + OH # Reaction 2660 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H92-4OOH => SC3H5CHO + CH3 + OH # Reaction 2661 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H92-5OOH => CH2O + C4H71-3 + OH # Reaction 2662 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H91-2,3OOH <=> C5H9O1-2OOH-3 + OH # Reaction 2663 rate-constant: {A: 5.8e+10, b: 0.43, Ea: 1.07e+04} - equation: C5H91-2,3OOH <=> C5H9O1-3OOH-2 + OH # Reaction 2664 rate-constant: {A: 1.015e+10, b: 0.46, Ea: 1.77e+04} - equation: C5H91-2,4OOH <=> C5H9O1-2OOH-4 + OH # Reaction 2665 rate-constant: {A: 5.8e+10, b: 0.43, Ea: 1.07e+04} - equation: C5H91-2,4OOH <=> C5H9O1-4OOH-2 + OH # Reaction 2666 rate-constant: {A: 1.24e+09, b: 0.35, Ea: 1.12e+04} - equation: C5H91-2,5OOH <=> C5H9O1-2OOH-5 + OH # Reaction 2667 rate-constant: {A: 5.8e+10, b: 0.43, Ea: 1.07e+04} - equation: C5H91-2,5OOH <=> C5H9O1-5OOH-2 + OH # Reaction 2668 rate-constant: {A: 1.445e+07, b: 0.76, Ea: 1.13e+04} - equation: C5H91-3,4OOH <=> C5H9O1-3OOH-4 + OH # Reaction 2669 rate-constant: {A: 1.015e+10, b: 0.46, Ea: 1.77e+04} - equation: C5H91-3,4OOH <=> C5H9O1-4OOH-3 + OH # Reaction 2670 rate-constant: {A: 1.24e+09, b: 0.35, Ea: 1.12e+04} - equation: C5H91-3,5OOH <=> C5H9O1-3OOH-5 + OH # Reaction 2671 rate-constant: {A: 1.015e+10, b: 0.46, Ea: 1.77e+04} - equation: C5H91-3,5OOH <=> C5H9O1-5OOH-3 + OH # Reaction 2672 rate-constant: {A: 1.445e+07, b: 0.76, Ea: 1.13e+04} - equation: C5H91-4,5OOH <=> C5H9O1-4OOH-5 + OH # Reaction 2673 rate-constant: {A: 1.24e+09, b: 0.35, Ea: 1.12e+04} - equation: C5H91-4,5OOH <=> C5H9O1-5OOH-2 + OH # Reaction 2674 rate-constant: {A: 1.445e+07, b: 0.76, Ea: 1.13e+04} - equation: C5H92-1,3OOH <=> C5H9O1-2OOH-3 + OH # Reaction 2675 rate-constant: {A: 3.67e+09, b: 0.93, Ea: 1.09e+04} - equation: C5H92-1,3OOH <=> C5H9O2-3OOH-1 + OH # Reaction 2676 rate-constant: {A: 7.04e+09, b: 0.784, Ea: 9591.0} - equation: C5H92-1,4OOH <=> C5H9O1-2OOH-4 + OH # Reaction 2677 rate-constant: {A: 3.67e+09, b: 0.93, Ea: 1.09e+04} - equation: C5H92-1,4OOH <=> C5H9O2-4OOH-1 + OH # Reaction 2678 rate-constant: {A: 1.34e+09, b: 0.7, Ea: 1.6415e+04} - equation: C5H92-1,5OOH <=> C5H9O1-2OOH-5 + OH # Reaction 2679 rate-constant: {A: 3.67e+09, b: 0.93, Ea: 1.09e+04} - equation: C5H92-1,5OOH <=> C5H9O1-4OOH-5 + OH # Reaction 2680 rate-constant: {A: 2.41e+07, b: 0.94, Ea: 1.0e+04} - equation: C5H92-3,4OOH <=> C5H9O2-3OOH-4 + OH # Reaction 2681 rate-constant: {A: 7.04e+09, b: 0.784, Ea: 9591.0} - equation: C5H92-3,4OOH <=> C5H9O2-4OOH-3 + OH # Reaction 2682 rate-constant: {A: 1.34e+09, b: 0.7, Ea: 1.6415e+04} - equation: C5H92-3,5OOH <=> C5H9O2-3OOH-5 + OH # Reaction 2683 rate-constant: {A: 7.04e+09, b: 0.784, Ea: 9591.0} - equation: C5H92-3,5OOH <=> C5H9O1-4OOH-3 + OH # Reaction 2684 rate-constant: {A: 2.41e+07, b: 0.94, Ea: 1.0e+04} - equation: C5H92-4,5OOH <=> C5H9O2-4OOH-1 + OH # Reaction 2685 rate-constant: {A: 1.34e+09, b: 0.7, Ea: 1.6415e+04} - equation: C5H92-4,5OOH <=> C5H9O1-4OOH-2 + OH # Reaction 2686 rate-constant: {A: 2.41e+07, b: 0.94, Ea: 1.0e+04} - equation: C5H93-1,2OOH <=> C5H9O1-3OOH-2 + OH # Reaction 2687 rate-constant: {A: 4.225e+08, b: 0.9, Ea: 1.53e+04} - equation: C5H93-1,2OOH <=> C5H9O2-3OOH-1 + OH # Reaction 2688 rate-constant: {A: 2.441e+09, b: 0.9, Ea: 9403.0} - equation: C5H93-1,4OOH <=> C5H9O1-3OOH-4 + OH # Reaction 2689 rate-constant: {A: 4.225e+08, b: 0.9, Ea: 1.53e+04} - equation: C5H93-1,4OOH <=> C5H9O2-3OOH-5 + OH # Reaction 2690 rate-constant: {A: 2.441e+09, b: 0.9, Ea: 9403.0} - equation: C5H93-1,5OOH <=> C5H9O1-3OOH-5 + OH # Reaction 2691 rate-constant: {A: 4.225e+08, b: 0.9, Ea: 1.53e+04} - equation: C5H93-2,4OOH <=> C5H9O2-3OOH-4 + OH # Reaction 2692 rate-constant: {A: 4.881e+09, b: 0.9, Ea: 9403.0} - equation: C5H9O1-2OOH-3 => C2H5CHO + CH2CHO + OH # Reaction 2693 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-3OOH-2 => C2H5CHO + CH2CHO + OH # Reaction 2694 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-3OOH-2 => CH2O + C3H6CHO-3 + OH # Reaction 2695 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-2OOH-4 => CH3CHO + C3H5O + OH # Reaction 2696 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-4OOH-2 => CH2O + C3H6CHO-2 + OH # Reaction 2697 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-4OOH-2 => C3H6 + OCH2CHO + OH # Reaction 2698 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-2OOH-5 <=> C5H9O1-2O-5 + OH # Reaction 2699 rate-constant: {A: 4.151e+19, b: -1.31, Ea: 4.57e+04} - equation: C5H9O1-5OOH-2 => CH2O + C3H6CHO-1 + OH # Reaction 2700 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-5OOH-2 => C2H4 + CH2OCH2CHO + OH # Reaction 2701 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-3OOH-4 => CH3CHO + CH2CH2CHO + OH # Reaction 2702 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-4OOH-3 => C2H4 + C2H4OCHO + OH # Reaction 2703 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-3OOH-5 => CH2O + C4H7O1-4 + OH # Reaction 2704 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H9O1-5OOH-3 <=> CH2CH2OCH2CH2CHO + OH # Reaction 2705 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O1-4OOH-5 => CH2O + C3H6CHO-1 + OH # Reaction 2706 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H9O2-3OOH-1 => CH2O + C3H6CHO-3 + OH # Reaction 2707 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H9O2-4OOH-1 => CH2O + C3H6CHO-2 + OH # Reaction 2708 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H9O2-4OOH-3 => CH3CHO + CH3CHCHO + OH # Reaction 2709 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C5H9O2-3OOH-5 => CH2O + C4H71-O + OH # Reaction 2710 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C5H10O1-2 + OH => CH2CO + NC3H7 + H2O # Reaction 2711 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-3 + OH => C2H4 + C2H5CO + H2O # Reaction 2712 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-4 + OH => CH3COCH2 + C2H4 + H2O # Reaction 2713 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-5 + OH => CH2CH2CHO + C2H4 + H2O # Reaction 2714 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O2-3 + OH => CH3CHCO + C2H5 + H2O # Reaction 2715 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O2-4 + OH => CH3CO + C3H6 + H2O # Reaction 2716 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-2 + OH => C2H3CHO + C2H5 + H2O # Reaction 2717 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-3 + OH => HCO + C4H8-1 + H2O # Reaction 2718 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-4 + OH => CH2CHO + C3H6 + H2O # Reaction 2719 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-5 + OH => CH2O + C4H71-3 + H2O # Reaction 2720 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O2-3 + OH => C2H3COCH3 + CH3 + H2O # Reaction 2721 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O2-4 + OH => CH3CHO + C3H5-S + H2O # Reaction 2722 rate-constant: {A: 2260.0, b: 2.73, Ea: -4688.6} - equation: C5H10O1-2 + HO2 => CH2CO + NC3H7 + H2O2 # Reaction 2723 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-3 + HO2 => C2H4 + C2H5CO + H2O2 # Reaction 2724 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-4 + HO2 => CH3COCH2 + C2H4 + H2O2 # Reaction 2725 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-5 + HO2 => CH2CH2CHO + C2H4 + H2O2 # Reaction 2726 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O2-3 + HO2 => CH3CHCO + C2H5 + H2O2 # Reaction 2727 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O2-4 + HO2 => CH3CO + C3H6 + H2O2 # Reaction 2728 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-2 + HO2 => C2H3CHO + C2H5 + H2O2 # Reaction 2729 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-3 + HO2 => HCO + C4H8-1 + H2O2 # Reaction 2730 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-4 + HO2 => CH2CHO + C3H6 + H2O2 # Reaction 2731 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O1-5 + HO2 => CH2O + C4H71-3 + H2O2 # Reaction 2732 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O2-3 + HO2 => C2H3COCH3 + CH3 + H2O2 # Reaction 2733 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H10O2-4 + HO2 => CH3CHO + C3H5-S + H2O2 # Reaction 2734 rate-constant: {A: 17.2, b: 3.46, Ea: 9733.3} - equation: C5H81-3 + OH <=> CH2O + C4H71-3 # Reaction 2735 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C5H81-3 + OH <=> C2H3CHO + C2H5 # Reaction 2736 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C5H81-3 + OH <=> CH3CHO + C3H5-S # Reaction 2737 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: OCH2CHO <=> CH2O + HCO # Reaction 2738 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: C5H9O1-2O-5 => CH2O + CH2CHO + C2H4 # Reaction 2739 rate-constant: {A: 1.326e+21, b: -2.349, Ea: 2.5084e+04} - equation: CH2OCH2CHO <=> CH2O + CH2CHO # Reaction 2740 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 2.55e+04} - equation: C2H4OCHO <=> CH3CHO + HCO # Reaction 2741 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: C4H7O1-4 <=> CH2O + C3H5-A # Reaction 2742 rate-constant: {A: 1.326e+21, b: -2.349, Ea: 2.5084e+04} - equation: CH2CH2OCH2CH2CHO => CH2O + C2H4 + CH2CHO # Reaction 2743 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 2.55e+04} - equation: NC5DIONE13 + OH => CH3CHCO + CH2CHO + H2O # Reaction 2744 rate-constant: {A: 236.0, b: 3.15, Ea: 3050.0} - equation: NC5DIONE24 + OH => CH2CO + CH3COCH2 + H2O # Reaction 2745 rate-constant: {A: 1.72e+05, b: 2.4, Ea: 815.0} - equation: IC5H12 <=> IC3H7 + C2H5 # Reaction 2746 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 4.07e+95, b: -23.37, Ea: 1.21614e+05} - {P: 0.1 atm, A: 2.8e+90, b: -21.55, Ea: 1.22339e+05} - {P: 1.0 atm, A: 8.58e+79, b: -18.27, Ea: 1.19001e+05} - {P: 2.0 atm, A: 3.96e+75, b: -16.97, Ea: 1.17015e+05} - {P: 5.0 atm, A: 1.41e+69, b: -15.06, Ea: 1.13723e+05} - {P: 10.0 atm, A: 7.29e+63, b: -13.51, Ea: 1.10811e+05} - {P: 20.0 atm, A: 2.46e+58, b: -11.91, Ea: 1.07645e+05} - {P: 50.0 atm, A: 1.55e+51, b: -9.83, Ea: 1.03292e+05} - equation: IC5H12 <=> SC4H9 + CH3 # Reaction 2747 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.05e+93, b: -22.64, Ea: 1.21641e+05} - {P: 0.1 atm, A: 1.31e+88, b: -20.89, Ea: 1.22563e+05} - {P: 1.0 atm, A: 6.8e+77, b: -17.67, Ea: 1.1942e+05} - {P: 2.0 atm, A: 3.55e+73, b: -16.39, Ea: 1.17484e+05} - {P: 5.0 atm, A: 1.43e+67, b: -14.49, Ea: 1.14248e+05} - {P: 10.0 atm, A: 7.81e+61, b: -12.94, Ea: 1.11365e+05} - {P: 20.0 atm, A: 2.7e+56, b: -11.35, Ea: 1.08218e+05} - {P: 50.0 atm, A: 1.66e+49, b: -9.26, Ea: 1.03871e+05} - equation: IC5H12 <=> IC4H9 + CH3 # Reaction 2748 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.91e+88, b: -21.68, Ea: 1.21666e+05} - {P: 0.1 atm, A: 4.79e+84, b: -20.23, Ea: 1.23421e+05} - {P: 1.0 atm, A: 2.45e+75, b: -17.28, Ea: 1.21108e+05} - {P: 2.0 atm, A: 2.21e+71, b: -16.05, Ea: 1.19391e+05} - {P: 5.0 atm, A: 1.56e+65, b: -14.22, Ea: 1.16397e+05} - {P: 10.0 atm, A: 1.12e+60, b: -12.7, Ea: 1.13651e+05} - {P: 20.0 atm, A: 4.35e+54, b: -11.12, Ea: 1.10591e+05} - {P: 50.0 atm, A: 2.49e+47, b: -9.02, Ea: 1.06282e+05} - equation: IC5H12 <=> AC5H11 + H # Reaction 2749 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.01e+67, b: -16.14, Ea: 1.18712e+05} - {P: 0.1 atm, A: 1.48e+72, b: -16.92, Ea: 1.25626e+05} - {P: 1.0 atm, A: 7.25e+70, b: -16.14, Ea: 1.29319e+05} - {P: 2.0 atm, A: 9.57e+68, b: -15.5, Ea: 1.29394e+05} - {P: 5.0 atm, A: 2.14e+65, b: -14.33, Ea: 1.28592e+05} - {P: 10.0 atm, A: 4.96e+61, b: -13.21, Ea: 1.27269e+05} - {P: 20.0 atm, A: 2.3e+57, b: -11.91, Ea: 1.25334e+05} - {P: 50.0 atm, A: 5.7e+50, b: -9.95, Ea: 1.21933e+05} - equation: IC5H12 <=> BC5H11 + H # Reaction 2750 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.24e+77, b: -18.65, Ea: 1.20361e+05} - {P: 0.1 atm, A: 1.43e+78, b: -18.53, Ea: 1.25424e+05} - {P: 1.0 atm, A: 2.48e+73, b: -16.81, Ea: 1.26657e+05} - {P: 2.0 atm, A: 3.39e+70, b: -15.9, Ea: 1.25951e+05} - {P: 5.0 atm, A: 4.9e+65, b: -14.41, Ea: 1.24153e+05} - {P: 10.0 atm, A: 1.95e+61, b: -13.09, Ea: 1.2215e+05} - {P: 20.0 atm, A: 2.31e+56, b: -11.63, Ea: 1.19644e+05} - {P: 50.0 atm, A: 2.03e+49, b: -9.56, Ea: 1.15729e+05} - equation: IC5H12 <=> CC5H11 + H # Reaction 2751 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.61e+73, b: -17.85, Ea: 1.19817e+05} - {P: 0.1 atm, A: 1.22e+76, b: -18.05, Ea: 1.25581e+05} - {P: 1.0 atm, A: 3.07e+72, b: -16.65, Ea: 1.27663e+05} - {P: 2.0 atm, A: 8.79e+69, b: -15.82, Ea: 1.27218e+05} - {P: 5.0 atm, A: 3.06e+65, b: -14.44, Ea: 1.25747e+05} - {P: 10.0 atm, A: 2.11e+61, b: -13.18, Ea: 1.23961e+05} - {P: 20.0 atm, A: 3.77e+56, b: -11.76, Ea: 1.21634e+05} - {P: 50.0 atm, A: 4.4e+49, b: -9.73, Ea: 1.17871e+05} - equation: IC5H12 <=> DC5H11 + H # Reaction 2752 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.96e+67, b: -16.35, Ea: 1.18712e+05} - {P: 0.1 atm, A: 1.48e+72, b: -17.13, Ea: 1.25626e+05} - {P: 1.0 atm, A: 7.21e+70, b: -16.36, Ea: 1.29319e+05} - {P: 2.0 atm, A: 9.51e+68, b: -15.71, Ea: 1.29394e+05} - {P: 5.0 atm, A: 2.13e+65, b: -14.55, Ea: 1.28592e+05} - {P: 10.0 atm, A: 4.94e+61, b: -13.43, Ea: 1.27269e+05} - {P: 20.0 atm, A: 2.29e+57, b: -12.12, Ea: 1.25334e+05} - {P: 50.0 atm, A: 5.66e+50, b: -10.17, Ea: 1.21933e+05} - equation: IC5H12 + O2 <=> AC5H11 + HO2 # Reaction 2753 rate-constant: {A: 4.2e+13, b: 0.0, Ea: 5.28e+04} - equation: IC5H12 + O2 <=> DC5H11 + HO2 # Reaction 2754 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 5.28e+04} - equation: IC5H12 + O <=> AC5H11 + OH # Reaction 2755 rate-constant: {A: 1.13e+14, b: 0.0, Ea: 7850.0} - equation: IC5H12 + O <=> DC5H11 + OH # Reaction 2756 rate-constant: {A: 1.046e+06, b: 2.424, Ea: 4766.0} - equation: IC5H12 + H <=> AC5H11 + H2 # Reaction 2757 rate-constant: {A: 3.49e+05, b: 2.69, Ea: 6450.0} - equation: IC5H12 + H <=> DC5H11 + H2 # Reaction 2758 rate-constant: {A: 1.745e+05, b: 2.69, Ea: 6450.0} - equation: IC5H12 + OH <=> AC5H11 + H2O # Reaction 2759 rate-constant: {A: 3.348e+06, b: 2.078, Ea: 375.6} - equation: IC5H12 + OH <=> DC5H11 + H2O # Reaction 2760 rate-constant: {A: 1.366e+07, b: 1.813, Ea: 868.4} - equation: IC5H12 + HO2 <=> AC5H11 + H2O2 # Reaction 2761 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: IC5H12 + HO2 <=> DC5H11 + H2O2 # Reaction 2762 rate-constant: {A: 20.4, b: 3.59, Ea: 1.716e+04} - equation: IC5H12 + CH3 <=> AC5H11 + CH4 # Reaction 2763 rate-constant: {A: 0.904, b: 3.65, Ea: 7154.0} - equation: IC5H12 + CH3 <=> DC5H11 + CH4 # Reaction 2764 rate-constant: {A: 0.452, b: 3.65, Ea: 7154.0} - equation: IC5H12 + CH3O <=> AC5H11 + CH3OH # Reaction 2765 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: IC5H12 + CH3O <=> DC5H11 + CH3OH # Reaction 2766 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 7000.0} - equation: IC5H12 + CH3O2 <=> AC5H11 + CH3O2H # Reaction 2767 rate-constant: {A: 1.386, b: 3.97, Ea: 1.828e+04} - equation: IC5H12 + CH3O2 <=> DC5H11 + CH3O2H # Reaction 2768 rate-constant: {A: 0.693, b: 3.97, Ea: 1.828e+04} - equation: IC5H12 + C2H5 <=> AC5H11 + C2H6 # Reaction 2769 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.34e+04} - equation: IC5H12 + C2H5 <=> DC5H11 + C2H6 # Reaction 2770 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.34e+04} - equation: IC5H12 + C2H3 <=> AC5H11 + C2H4 # Reaction 2771 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.8e+04} - equation: IC5H12 + C2H3 <=> DC5H11 + C2H4 # Reaction 2772 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 1.8e+04} - equation: IC5H12 + O2CHO <=> AC5H11 + HO2CHO # Reaction 2773 rate-constant: {A: 1.68e+13, b: 0.0, Ea: 2.044e+04} - equation: IC5H12 + O2CHO <=> DC5H11 + HO2CHO # Reaction 2774 rate-constant: {A: 8.4e+12, b: 0.0, Ea: 2.044e+04} - equation: IC5H12 + AC5H11 <=> DC5H11 + IC5H12 # Reaction 2775 rate-constant: {A: 7.5e+10, b: 0.0, Ea: 1.23e+04} - equation: IC5H12 + BC5H11 <=> DC5H11 + IC5H12 # Reaction 2776 rate-constant: {A: 7.5e+10, b: 0.0, Ea: 1.23e+04} - equation: IC5H12 + CC5H11 <=> DC5H11 + IC5H12 # Reaction 2777 rate-constant: {A: 7.5e+10, b: 0.0, Ea: 1.23e+04} - equation: IC5H12 + O2 <=> CC5H11 + HO2 # Reaction 2778 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 5.016e+04} - equation: IC5H12 + O <=> CC5H11 + OH # Reaction 2779 rate-constant: {A: 5.946e+05, b: 2.439, Ea: 2846.0} - equation: IC5H12 + H <=> CC5H11 + H2 # Reaction 2780 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: IC5H12 + OH <=> CC5H11 + H2O # Reaction 2781 rate-constant: {A: 7.053e+09, b: 0.935, Ea: 504.7} - equation: IC5H12 + HO2 <=> CC5H11 + H2O2 # Reaction 2782 rate-constant: {A: 63.2, b: 3.37, Ea: 1.372e+04} - equation: IC5H12 + CH3 <=> CC5H11 + CH4 # Reaction 2783 rate-constant: {A: 8.4e+04, b: 2.133, Ea: 7574.0} - equation: IC5H12 + CH3O <=> CC5H11 + CH3OH # Reaction 2784 rate-constant: {A: 1.1e+11, b: 0.0, Ea: 5000.0} - equation: IC5H12 + CH3O2 <=> CC5H11 + CH3O2H # Reaction 2785 rate-constant: {A: 10.19, b: 3.58, Ea: 1.481e+04} - equation: IC5H12 + C2H5 <=> CC5H11 + C2H6 # Reaction 2786 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: IC5H12 + C2H3 <=> CC5H11 + C2H4 # Reaction 2787 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 1.68e+04} - equation: IC5H12 + O2CHO <=> CC5H11 + HO2CHO # Reaction 2788 rate-constant: {A: 5.6e+12, b: 0.0, Ea: 1.769e+04} - equation: IC5H12 + AC5H11 <=> CC5H11 + IC5H12 # Reaction 2789 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: IC5H12 + BC5H11 <=> CC5H11 + IC5H12 # Reaction 2790 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: IC5H12 + O2 <=> BC5H11 + HO2 # Reaction 2791 rate-constant: {A: 7.0e+12, b: 0.0, Ea: 4.8e+04} - equation: IC5H12 + O <=> BC5H11 + OH # Reaction 2792 rate-constant: {A: 3.968e+05, b: 2.401, Ea: 1150.0} - equation: IC5H12 + H <=> BC5H11 + H2 # Reaction 2793 rate-constant: {A: 6.02e+05, b: 2.4, Ea: 2583.0} - equation: IC5H12 + OH <=> BC5H11 + H2O # Reaction 2794 rate-constant: {A: 4.844e+06, b: 1.84, Ea: -999.6} - equation: IC5H12 + HO2 <=> BC5H11 + H2O2 # Reaction 2795 rate-constant: {A: 650.4, b: 3.01, Ea: 1.209e+04} - equation: IC5H12 + CH3 <=> BC5H11 + CH4 # Reaction 2796 rate-constant: {A: 6.01e-10, b: 6.36, Ea: 893.0} - equation: IC5H12 + CH3O <=> BC5H11 + CH3OH # Reaction 2797 rate-constant: {A: 1.9e+10, b: 0.0, Ea: 2800.0} - equation: IC5H12 + CH3O2 <=> BC5H11 + CH3O2H # Reaction 2798 rate-constant: {A: 262.0, b: 3.12, Ea: 1.11e+04} - equation: IC5H12 + C2H5 <=> BC5H11 + C2H6 # Reaction 2799 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7900.0} - equation: IC5H12 + C2H3 <=> BC5H11 + C2H4 # Reaction 2800 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.43e+04} - equation: IC5H12 + O2CHO <=> BC5H11 + HO2CHO # Reaction 2801 rate-constant: {A: 1.5e+04, b: 2.5, Ea: 1.226e+04} - equation: IC5H12 + AC5H11 <=> BC5H11 + IC5H12 # Reaction 2802 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 7900.0} - equation: C3H6 + C2H5 <=> AC5H11 # Reaction 2803 rate-constant: {A: 1420.0, b: 2.67, Ea: 6850.0} - equation: C4H8-1 + CH3 <=> AC5H11 # Reaction 2804 rate-constant: {A: 1890.0, b: 2.67, Ea: 6850.0} - equation: AC5H10 + H <=> AC5H11 # Reaction 2805 rate-constant: {A: 6.25e+11, b: 0.51, Ea: 2620.0} - equation: IC4H8 + CH3 <=> BC5H11 # Reaction 2806 rate-constant: {A: 4.4e+04, b: 2.48, Ea: 6130.0} - equation: AC5H10 + H <=> BC5H11 # Reaction 2807 rate-constant: {A: 1.06e+12, b: 0.51, Ea: 1230.0} - equation: BC5H10 + H <=> BC5H11 # Reaction 2808 rate-constant: {A: 6.25e+11, b: 0.51, Ea: 2620.0} - equation: C4H8-2 + CH3 <=> CC5H11 # Reaction 2809 rate-constant: {A: 1890.0, b: 2.67, Ea: 6850.0} - equation: BC5H10 + H <=> CC5H11 # Reaction 2810 rate-constant: {A: 2.5e+11, b: 0.51, Ea: 2620.0} - equation: CC5H10 + H <=> CC5H11 # Reaction 2811 rate-constant: {A: 6.25e+11, b: 0.51, Ea: 2620.0} - equation: C2H4 + IC3H7 <=> DC5H11 # Reaction 2812 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: CC5H10 + H <=> DC5H11 # Reaction 2813 rate-constant: {A: 2.5e+11, b: 0.51, Ea: 2620.0} - equation: AC5H11 + O2 <=> AC5H10 + HO2 # Reaction 2814 rate-constant: {A: 0.837, b: 3.59, Ea: 1.196e+04} - equation: BC5H11 + O2 <=> AC5H10 + HO2 # Reaction 2815 rate-constant: {A: 0.535, b: 3.71, Ea: 9322.0} - equation: BC5H11 + O2 <=> BC5H10 + HO2 # Reaction 2816 rate-constant: {A: 1.07, b: 3.71, Ea: 9322.0} - equation: CC5H11 + O2 <=> BC5H10 + HO2 # Reaction 2817 rate-constant: {A: 1.07, b: 3.71, Ea: 9322.0} - equation: CC5H11 + O2 <=> CC5H10 + HO2 # Reaction 2818 rate-constant: {A: 0.535, b: 3.71, Ea: 9322.0} - equation: DC5H11 + O2 <=> CC5H10 + HO2 # Reaction 2819 rate-constant: {A: 0.837, b: 3.59, Ea: 1.196e+04} - equation: AC5H11 <=> DC5H11 # Reaction 2820 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 2.11e+04} - equation: AC5H11 + O2 <=> AC5H11O2 # Reaction 2821 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: BC5H11 + O2 <=> BC5H11O2 # Reaction 2822 rate-constant: {A: 9.756e+11, b: 0.325, Ea: -417.3} - equation: CC5H11 + O2 <=> CC5H11O2 # Reaction 2823 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: DC5H11 + O2 <=> DC5H11O2 # Reaction 2824 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: AC5H11 + HO2 <=> AC5H11O + OH # Reaction 2825 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: BC5H11 + HO2 <=> BC5H11O + OH # Reaction 2826 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H11 + HO2 <=> CC5H11O + OH # Reaction 2827 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: DC5H11 + HO2 <=> DC5H11O + OH # Reaction 2828 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H11 + CH3O2 <=> AC5H11O + CH3O # Reaction 2829 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: BC5H11 + CH3O2 <=> BC5H11O + CH3O # Reaction 2830 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H11 + CH3O2 <=> CC5H11O + CH3O # Reaction 2831 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: DC5H11 + CH3O2 <=> DC5H11O + CH3O # Reaction 2832 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H11 + AC5H11O2 <=> AC5H11O + AC5H11O # Reaction 2833 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H11 + BC5H11O2 <=> AC5H11O + BC5H11O # Reaction 2834 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H11 + CC5H11O2 <=> AC5H11O + CC5H11O # Reaction 2835 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H11 + DC5H11O2 <=> AC5H11O + DC5H11O # Reaction 2836 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: BC5H11 + AC5H11O2 <=> BC5H11O + AC5H11O # Reaction 2837 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: BC5H11 + BC5H11O2 <=> BC5H11O + BC5H11O # Reaction 2838 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: BC5H11 + CC5H11O2 <=> BC5H11O + CC5H11O # Reaction 2839 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: BC5H11 + DC5H11O2 <=> BC5H11O + DC5H11O # Reaction 2840 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H11 + AC5H11O2 <=> CC5H11O + AC5H11O # Reaction 2841 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H11 + BC5H11O2 <=> CC5H11O + BC5H11O # Reaction 2842 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H11 + CC5H11O2 <=> CC5H11O + CC5H11O # Reaction 2843 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H11 + DC5H11O2 <=> CC5H11O + DC5H11O # Reaction 2844 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: DC5H11 + AC5H11O2 <=> DC5H11O + AC5H11O # Reaction 2845 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: DC5H11 + BC5H11O2 <=> DC5H11O + BC5H11O # Reaction 2846 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: DC5H11 + CC5H11O2 <=> DC5H11O + CC5H11O # Reaction 2847 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: DC5H11 + DC5H11O2 <=> DC5H11O + DC5H11O # Reaction 2848 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H11O2 <=> AC5H10OOH-A # Reaction 2849 rate-constant: {A: 4.91e+07, b: 1.3, Ea: 2.15e+04} - equation: AC5H11O2 <=> AC5H10OOH-B # Reaction 2850 rate-constant: {A: 2.309e+09, b: 0.8, Ea: 2.71e+04} - equation: AC5H11O2 <=> AC5H10OOH-C # Reaction 2851 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: AC5H11O2 <=> AC5H10OOH-D # Reaction 2852 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: BC5H11O2 <=> BC5H10OOH-A # Reaction 2853 rate-constant: {A: 3.014e+09, b: 1.2, Ea: 3.35e+04} - equation: BC5H11O2 <=> BC5H10OOH-C # Reaction 2854 rate-constant: {A: 6.513e+09, b: 0.7, Ea: 3.01e+04} - equation: BC5H11O2 <=> BC5H10OOH-D # Reaction 2855 rate-constant: {A: 1.504e+08, b: 1.1, Ea: 2.19e+04} - equation: CC5H11O2 <=> CC5H10OOH-A # Reaction 2856 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: CC5H11O2 <=> CC5H10OOH-B # Reaction 2857 rate-constant: {A: 7.449e+09, b: 0.6, Ea: 2.73e+04} - equation: CC5H11O2 <=> CC5H10OOH-D # Reaction 2858 rate-constant: {A: 1.458e+09, b: 1.1, Ea: 3.35e+04} - equation: DC5H11O2 <=> DC5H10OOH-A # Reaction 2859 rate-constant: {A: 2.467e+06, b: 1.5, Ea: 2.0e+04} - equation: DC5H11O2 <=> DC5H10OOH-B # Reaction 2860 rate-constant: {A: 1.231e+07, b: 1.2, Ea: 1.54e+04} - equation: DC5H11O2 <=> DC5H10OOH-C # Reaction 2861 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: AC5H11O2 <=> AC5H10 + HO2 # Reaction 2862 rate-constant: {A: 1.26e+08, b: 1.32, Ea: 2.89e+04} - equation: BC5H11O2 <=> AC5H10 + HO2 # Reaction 2863 rate-constant: {A: 2.448e+10, b: 0.89, Ea: 2.95e+04} - equation: BC5H11O2 <=> BC5H10 + HO2 # Reaction 2864 rate-constant: {A: 1.124e+11, b: 0.58, Ea: 2.96e+04} - equation: CC5H11O2 <=> BC5H10 + HO2 # Reaction 2865 rate-constant: {A: 3.5e+10, b: 0.71, Ea: 3.01e+04} - equation: CC5H11O2 <=> CC5H10 + HO2 # Reaction 2866 rate-constant: {A: 1.476e+09, b: 1.21, Ea: 2.98e+04} - equation: DC5H11O2 <=> CC5H10 + HO2 # Reaction 2867 rate-constant: {A: 1.518e+07, b: 1.66, Ea: 2.84e+04} - equation: AC5H11O2 + HO2 <=> AC5H11O2H + O2 # Reaction 2868 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: BC5H11O2 + HO2 <=> BC5H11O2H + O2 # Reaction 2869 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: CC5H11O2 + HO2 <=> CC5H11O2H + O2 # Reaction 2870 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: DC5H11O2 + HO2 <=> DC5H11O2H + O2 # Reaction 2871 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: AC5H11O2 + H2O2 <=> AC5H11O2H + HO2 # Reaction 2872 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: BC5H11O2 + H2O2 <=> BC5H11O2H + HO2 # Reaction 2873 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: CC5H11O2 + H2O2 <=> CC5H11O2H + HO2 # Reaction 2874 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: DC5H11O2 + H2O2 <=> DC5H11O2H + HO2 # Reaction 2875 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: IC5H12 + AC5H11O2 <=> AC5H11 + AC5H11O2H # Reaction 2876 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + BC5H11O2 <=> AC5H11 + BC5H11O2H # Reaction 2877 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + CC5H11O2 <=> AC5H11 + CC5H11O2H # Reaction 2878 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + DC5H11O2 <=> AC5H11 + DC5H11O2H # Reaction 2879 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + AC5H11O2 <=> DC5H11 + AC5H11O2H # Reaction 2880 rate-constant: {A: 6.048e+12, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + BC5H11O2 <=> DC5H11 + BC5H11O2H # Reaction 2881 rate-constant: {A: 6.048e+12, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + CC5H11O2 <=> DC5H11 + CC5H11O2H # Reaction 2882 rate-constant: {A: 6.048e+12, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + DC5H11O2 <=> DC5H11 + DC5H11O2H # Reaction 2883 rate-constant: {A: 6.048e+12, b: 0.0, Ea: 2.043e+04} - equation: IC5H12 + AC5H11O2 <=> CC5H11 + AC5H11O2H # Reaction 2884 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: IC5H12 + BC5H11O2 <=> CC5H11 + BC5H11O2H # Reaction 2885 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: IC5H12 + CC5H11O2 <=> CC5H11 + CC5H11O2H # Reaction 2886 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: IC5H12 + DC5H11O2 <=> CC5H11 + DC5H11O2H # Reaction 2887 rate-constant: {A: 4.032e+12, b: 0.0, Ea: 1.77e+04} - equation: IC5H12 + AC5H11O2 <=> BC5H11 + AC5H11O2H # Reaction 2888 rate-constant: {A: 2.016e+12, b: 0.0, Ea: 1.6e+04} - equation: IC5H12 + BC5H11O2 <=> BC5H11 + BC5H11O2H # Reaction 2889 rate-constant: {A: 2.016e+12, b: 0.0, Ea: 1.6e+04} - equation: IC5H12 + CC5H11O2 <=> BC5H11 + CC5H11O2H # Reaction 2890 rate-constant: {A: 2.016e+12, b: 0.0, Ea: 1.6e+04} - equation: IC5H12 + DC5H11O2 <=> BC5H11 + DC5H11O2H # Reaction 2891 rate-constant: {A: 2.016e+12, b: 0.0, Ea: 1.6e+04} - equation: AC5H11O2 + CH3O2 => AC5H11O + CH3O + O2 # Reaction 2892 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: BC5H11O2 + CH3O2 => BC5H11O + CH3O + O2 # Reaction 2893 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: CC5H11O2 + CH3O2 => CC5H11O + CH3O + O2 # Reaction 2894 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: DC5H11O2 + CH3O2 => DC5H11O + CH3O + O2 # Reaction 2895 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: AC5H11O2 + AC5H11O2 => AC5H11O + AC5H11O + O2 # Reaction 2896 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: AC5H11O2 + BC5H11O2 => AC5H11O + BC5H11O + O2 # Reaction 2897 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: AC5H11O2 + CC5H11O2 => AC5H11O + CC5H11O + O2 # Reaction 2898 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: AC5H11O2 + DC5H11O2 => AC5H11O + DC5H11O + O2 # Reaction 2899 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: BC5H11O2 + BC5H11O2 => BC5H11O + BC5H11O + O2 # Reaction 2900 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: BC5H11O2 + CC5H11O2 => BC5H11O + CC5H11O + O2 # Reaction 2901 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: BC5H11O2 + DC5H11O2 => BC5H11O + DC5H11O + O2 # Reaction 2902 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: CC5H11O2 + CC5H11O2 => CC5H11O + CC5H11O + O2 # Reaction 2903 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: CC5H11O2 + DC5H11O2 => CC5H11O + DC5H11O + O2 # Reaction 2904 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: DC5H11O2 + DC5H11O2 => DC5H11O + DC5H11O + O2 # Reaction 2905 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: AC5H11O2H <=> AC5H11O + OH # Reaction 2906 rate-constant: {A: 3.031e+20, b: -1.414, Ea: 4.60721e+04} - equation: BC5H11O2H <=> BC5H11O + OH # Reaction 2907 rate-constant: {A: 8.618e+20, b: -1.641, Ea: 4.51556e+04} - equation: CC5H11O2H <=> CC5H11O + OH # Reaction 2908 rate-constant: {A: 1.129e+21, b: -1.555, Ea: 4.57774e+04} - equation: DC5H11O2H <=> DC5H11O + OH # Reaction 2909 rate-constant: {A: 3.591e+20, b: -1.436, Ea: 4.61037e+04} - equation: CH2O + SC4H9 <=> AC5H11O # Reaction 2910 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2330.0} - equation: C2H5 + CH3COCH3 <=> BC5H11O # Reaction 2911 rate-constant: {A: 8.33e+09, b: 0.0, Ea: 7240.0} - equation: CH3CHO + IC3H7 <=> CC5H11O # Reaction 2912 rate-constant: {A: 1.665e+10, b: 0.0, Ea: 5230.0} - equation: CH2O + IC4H9 <=> DC5H11O # Reaction 2913 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2330.0} - equation: AC5H10OOH-A <=> A-AC5H10O + OH # Reaction 2914 rate-constant: {A: 4.1e+10, b: 0.36, Ea: 1.72e+04} - equation: AC5H10OOH-B <=> A-BC5H10O + OH # Reaction 2915 rate-constant: {A: 7.19e+09, b: 0.88, Ea: 9600.0} - equation: AC5H10OOH-C <=> A-CC5H10O + OH # Reaction 2916 rate-constant: {A: 1.701e+09, b: 0.734, Ea: 1.4983e+04} - equation: AC5H10OOH-D <=> A-DC5H10O + OH # Reaction 2917 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: BC5H10OOH-A <=> A-BC5H10O + OH # Reaction 2918 rate-constant: {A: 1.05e+12, b: 0.15, Ea: 9600.0} - equation: BC5H10OOH-C <=> B-CC5H10O + OH # Reaction 2919 rate-constant: {A: 4.27e+10, b: 0.52, Ea: 8800.0} - equation: BC5H10OOH-D <=> B-DC5H10O + OH # Reaction 2920 rate-constant: {A: 1.03e+10, b: 0.55, Ea: 1.62e+04} - equation: CC5H10OOH-A <=> A-CC5H10O + OH # Reaction 2921 rate-constant: {A: 3.792e+07, b: 1.517, Ea: 1.6033e+04} - equation: CC5H10OOH-B <=> B-CC5H10O + OH # Reaction 2922 rate-constant: {A: 5.36e+10, b: 0.54, Ea: 8900.0} - equation: CC5H10OOH-D <=> C-DC5H10O + OH # Reaction 2923 rate-constant: {A: 1.53e+10, b: 0.64, Ea: 1.05e+04} - equation: DC5H10OOH-A <=> A-DC5H10O + OH # Reaction 2924 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: DC5H10OOH-B <=> B-DC5H10O + OH # Reaction 2925 rate-constant: {A: 2.85e+08, b: 0.92, Ea: 1.34e+04} - equation: DC5H10OOH-C <=> C-DC5H10O + OH # Reaction 2926 rate-constant: {A: 1.12e+10, b: 0.82, Ea: 1.09e+04} - equation: AC5H10OOH-B <=> AC5H10 + HO2 # Reaction 2927 rate-constant: {A: 8.38e+09, b: 0.92, Ea: 1.45e+04} - equation: BC5H10OOH-A <=> AC5H10 + HO2 # Reaction 2928 rate-constant: {A: 3.89e+13, b: -0.15, Ea: 1.55e+04} - equation: BC5H10OOH-C <=> BC5H10 + HO2 # Reaction 2929 rate-constant: {A: 3.01e+11, b: 0.35, Ea: 1.52e+04} - equation: CC5H10OOH-B <=> BC5H10 + HO2 # Reaction 2930 rate-constant: {A: 9.79e+12, b: 0.04, Ea: 1.54e+04} - equation: CC5H10OOH-D <=> CC5H10 + HO2 # Reaction 2931 rate-constant: {A: 6.83e+09, b: 0.92, Ea: 1.51e+04} - equation: DC5H10OOH-C <=> CC5H10 + HO2 # Reaction 2932 rate-constant: {A: 6.24e+10, b: 0.72, Ea: 1.5e+04} - equation: AC5H10OOH-C => OH + CH2O + C4H8-2 # Reaction 2933 rate-constant: {A: 1.96e+09, b: 1.2, Ea: 2.34e+04} - equation: AC5H10OOH-A => OH + CH2O + C4H8-1 # Reaction 2934 rate-constant: {A: 8.283e+13, b: -0.17, Ea: 3.009e+04} - equation: BC5H10OOH-D => OH + CH3COCH3 + C2H4 # Reaction 2935 rate-constant: {A: 1.182e+20, b: -2.06, Ea: 2.421e+04} - equation: CC5H10OOH-A => OH + CH3CHO + C3H6 # Reaction 2936 rate-constant: {A: 3.53e+09, b: 1.2, Ea: 2.19e+04} - equation: DC5H10OOH-B => OH + CH2O + IC4H8 # Reaction 2937 rate-constant: {A: 6.27e+08, b: 1.4, Ea: 2.36e+04} - equation: AC5H10OOH-A + O2 <=> AC5H10OOH-AO2 # Reaction 2938 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: AC5H10OOH-B + O2 <=> AC5H10OOH-BO2 # Reaction 2939 rate-constant: {A: 4.39e+11, b: 0.325, Ea: -417.3} - equation: AC5H10OOH-C + O2 <=> AC5H10OOH-CO2 # Reaction 2940 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: AC5H10OOH-D + O2 <=> AC5H10OOH-DO2 # Reaction 2941 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: BC5H10OOH-A + O2 <=> BC5H10OOH-AO2 # Reaction 2942 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: BC5H10OOH-C + O2 <=> BC5H10OOH-CO2 # Reaction 2943 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: BC5H10OOH-D + O2 <=> BC5H10OOH-DO2 # Reaction 2944 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: CC5H10OOH-A + O2 <=> CC5H10OOH-AO2 # Reaction 2945 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: CC5H10OOH-B + O2 <=> CC5H10OOH-BO2 # Reaction 2946 rate-constant: {A: 4.39e+11, b: 0.325, Ea: -417.3} - equation: CC5H10OOH-D + O2 <=> CC5H10OOH-DO2 # Reaction 2947 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: DC5H10OOH-A + O2 <=> DC5H10OOH-AO2 # Reaction 2948 rate-constant: {A: 3.089e+16, b: -1.627, Ea: 198.7} - equation: DC5H10OOH-B + O2 <=> DC5H10OOH-BO2 # Reaction 2949 rate-constant: {A: 4.39e+11, b: 0.325, Ea: -417.3} - equation: DC5H10OOH-C + O2 <=> DC5H10OOH-CO2 # Reaction 2950 rate-constant: {A: 1.569e+14, b: -0.816, Ea: -536.5} - equation: AC5H10OOH-AO2 <=> C5H9A-AOOH + HO2 # Reaction 2951 rate-constant: {A: 1.26e+08, b: 1.32, Ea: 2.89e+04} - equation: AC5H10OOH-BO2 <=> C5H9A-AOOH + HO2 # Reaction 2952 rate-constant: {A: 2.448e+10, b: 0.89, Ea: 2.95e+04} - equation: AC5H10OOH-BO2 <=> C5H9B-AOOH + HO2 # Reaction 2953 rate-constant: {A: 1.124e+11, b: 0.58, Ea: 2.96e+04} - equation: AC5H10OOH-CO2 <=> C5H9B-AOOH + HO2 # Reaction 2954 rate-constant: {A: 3.5e+10, b: 0.71, Ea: 3.01e+04} - equation: AC5H10OOH-CO2 <=> C5H9C-AOOH + HO2 # Reaction 2955 rate-constant: {A: 1.476e+09, b: 1.21, Ea: 2.98e+04} - equation: AC5H10OOH-DO2 <=> C5H9C-AOOH + HO2 # Reaction 2956 rate-constant: {A: 1.518e+07, b: 1.66, Ea: 2.84e+04} - equation: BC5H10OOH-CO2 <=> C5H9C-BOOH + HO2 # Reaction 2957 rate-constant: {A: 1.476e+09, b: 1.21, Ea: 2.98e+04} - equation: BC5H10OOH-DO2 <=> C5H9C-BOOH + HO2 # Reaction 2958 rate-constant: {A: 1.518e+07, b: 1.66, Ea: 2.84e+04} - equation: CC5H10OOH-AO2 <=> C5H9A-COOH + HO2 # Reaction 2959 rate-constant: {A: 1.26e+08, b: 1.32, Ea: 2.89e+04} - equation: CC5H10OOH-BO2 <=> C5H9A-COOH + HO2 # Reaction 2960 rate-constant: {A: 2.448e+10, b: 0.89, Ea: 2.95e+04} - equation: DC5H10OOH-AO2 <=> C5H9A-DOOH + HO2 # Reaction 2961 rate-constant: {A: 1.26e+08, b: 1.32, Ea: 2.89e+04} - equation: DC5H10OOH-BO2 <=> C5H9A-DOOH + HO2 # Reaction 2962 rate-constant: {A: 2.448e+10, b: 0.89, Ea: 2.95e+04} - equation: DC5H10OOH-BO2 <=> C5H9B-DOOH + HO2 # Reaction 2963 rate-constant: {A: 1.124e+11, b: 0.58, Ea: 2.96e+04} - equation: DC5H10OOH-CO2 <=> C5H9B-DOOH + HO2 # Reaction 2964 rate-constant: {A: 3.5e+10, b: 0.71, Ea: 3.01e+04} - equation: AC5H10OOH-AO2 <=> C5H9B-A,AOOH # Reaction 2965 rate-constant: {A: 2.309e+09, b: 0.8, Ea: 2.71e+04} - equation: AC5H10OOH-AO2 <=> C5H9C-A,AOOH # Reaction 2966 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: AC5H10OOH-AO2 <=> C5H9D-A,AOOH # Reaction 2967 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: AC5H10OOH-BO2 <=> C5H9A-A,BOOH # Reaction 2968 rate-constant: {A: 3.014e+09, b: 1.2, Ea: 3.35e+04} - equation: AC5H10OOH-BO2 <=> C5H9C-A,BOOH # Reaction 2969 rate-constant: {A: 6.513e+09, b: 0.7, Ea: 3.01e+04} - equation: AC5H10OOH-BO2 <=> C5H9D-A,BOOH # Reaction 2970 rate-constant: {A: 1.504e+08, b: 1.1, Ea: 2.19e+04} - equation: AC5H10OOH-CO2 <=> C5H9A-A,COOH # Reaction 2971 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: AC5H10OOH-CO2 <=> C5H9B-A,COOH # Reaction 2972 rate-constant: {A: 7.449e+09, b: 0.6, Ea: 2.73e+04} - equation: AC5H10OOH-CO2 <=> C5H9D-A,COOH # Reaction 2973 rate-constant: {A: 1.458e+09, b: 1.1, Ea: 3.35e+04} - equation: AC5H10OOH-DO2 <=> C5H9A-A,DOOH # Reaction 2974 rate-constant: {A: 2.467e+06, b: 1.5, Ea: 2.0e+04} - equation: AC5H10OOH-DO2 <=> C5H9B-A,DOOH # Reaction 2975 rate-constant: {A: 1.231e+07, b: 1.2, Ea: 1.54e+04} - equation: AC5H10OOH-DO2 <=> C5H9C-A,DOOH # Reaction 2976 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: BC5H10OOH-AO2 <=> C5H9A-A,BOOH # Reaction 2977 rate-constant: {A: 4.91e+07, b: 1.3, Ea: 2.15e+04} - equation: BC5H10OOH-AO2 <=> C5H9C-A,BOOH # Reaction 2978 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: BC5H10OOH-AO2 <=> C5H9D-A,BOOH # Reaction 2979 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: BC5H10OOH-CO2 <=> C5H9A-B,COOH # Reaction 2980 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: BC5H10OOH-CO2 <=> C5H9D-B,COOH # Reaction 2981 rate-constant: {A: 1.458e+09, b: 1.1, Ea: 3.35e+04} - equation: BC5H10OOH-DO2 <=> C5H9A-B,DOOH # Reaction 2982 rate-constant: {A: 2.467e+06, b: 1.5, Ea: 2.0e+04} - equation: BC5H10OOH-DO2 <=> C5H9C-B,DOOH # Reaction 2983 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: CC5H10OOH-AO2 <=> C5H9A-A,COOH # Reaction 2984 rate-constant: {A: 4.91e+07, b: 1.3, Ea: 2.15e+04} - equation: CC5H10OOH-AO2 <=> C5H9B-A,COOH # Reaction 2985 rate-constant: {A: 2.309e+09, b: 0.8, Ea: 2.71e+04} - equation: CC5H10OOH-AO2 <=> C5H9D-A,COOH # Reaction 2986 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: CC5H10OOH-BO2 <=> C5H9A-B,COOH # Reaction 2987 rate-constant: {A: 3.014e+09, b: 1.2, Ea: 3.35e+04} - equation: CC5H10OOH-BO2 <=> C5H9D-B,COOH # Reaction 2988 rate-constant: {A: 1.504e+08, b: 1.1, Ea: 2.19e+04} - equation: CC5H10OOH-DO2 <=> C5H9A-C,DOOH # Reaction 2989 rate-constant: {A: 2.467e+06, b: 1.5, Ea: 2.0e+04} - equation: CC5H10OOH-DO2 <=> C5H9B-C,DOOH # Reaction 2990 rate-constant: {A: 1.231e+07, b: 1.2, Ea: 1.54e+04} - equation: DC5H10OOH-AO2 <=> C5H9A-A,DOOH # Reaction 2991 rate-constant: {A: 4.91e+07, b: 1.3, Ea: 2.15e+04} - equation: DC5H10OOH-AO2 <=> C5H9B-A,DOOH # Reaction 2992 rate-constant: {A: 2.309e+09, b: 0.8, Ea: 2.71e+04} - equation: DC5H10OOH-AO2 <=> C5H9C-A,DOOH # Reaction 2993 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: DC5H10OOH-BO2 <=> C5H9A-B,DOOH # Reaction 2994 rate-constant: {A: 3.014e+09, b: 1.2, Ea: 3.35e+04} - equation: DC5H10OOH-BO2 <=> C5H9C-B,DOOH # Reaction 2995 rate-constant: {A: 6.513e+09, b: 0.7, Ea: 3.01e+04} - equation: DC5H10OOH-CO2 <=> C5H9A-C,DOOH # Reaction 2996 rate-constant: {A: 2.877e+07, b: 1.4, Ea: 2.08e+04} - equation: DC5H10OOH-CO2 <=> C5H9B-C,DOOH # Reaction 2997 rate-constant: {A: 7.449e+09, b: 0.6, Ea: 2.73e+04} - equation: AC5H10OOH-AO2 <=> IC5KETAA + OH # Reaction 2998 rate-constant: {A: 5.188e+04, b: 1.9, Ea: 1.88e+04} - equation: AC5H10OOH-BO2 <=> IC5KETAB + OH # Reaction 2999 rate-constant: {A: 2.441e+07, b: 1.6, Ea: 2.79e+04} - equation: AC5H10OOH-CO2 <=> IC5KETAC + OH # Reaction 3000 rate-constant: {A: 1.098e+04, b: 2.4, Ea: 1.99e+04} - equation: AC5H10OOH-DO2 <=> IC5KETAD + OH # Reaction 3001 rate-constant: {A: 4766.0, b: 1.7, Ea: 1.66e+04} - equation: CC5H10OOH-AO2 <=> IC5KETCA + OH # Reaction 3002 rate-constant: {A: 57.86, b: 2.9, Ea: 1.7e+04} - equation: CC5H10OOH-BO2 <=> IC5KETCB + OH # Reaction 3003 rate-constant: {A: 1.747e+08, b: 1.7, Ea: 2.6e+04} - equation: CC5H10OOH-DO2 <=> IC5KETCD + OH # Reaction 3004 rate-constant: {A: 2.763e+08, b: 1.2, Ea: 2.57e+04} - equation: DC5H10OOH-AO2 <=> IC5KETDA + OH # Reaction 3005 rate-constant: {A: 4766.0, b: 1.7, Ea: 1.66e+04} - equation: DC5H10OOH-BO2 <=> IC5KETDB + OH # Reaction 3006 rate-constant: {A: 1.098e+04, b: 2.4, Ea: 1.99e+04} - equation: DC5H10OOH-CO2 <=> IC5KETDC + OH # Reaction 3007 rate-constant: {A: 2.441e+07, b: 1.6, Ea: 2.79e+04} - equation: C5H9A-A,COOH => AC4H7OOH + CH2O + OH # Reaction 3008 rate-constant: {A: 1.978e+08, b: 1.521, Ea: 2.189e+04} - equation: C5H9A-A,DOOH <=> AC3H5OOH + C2H4O2H # Reaction 3009 rate-constant: {A: 1.978e+08, b: 1.521, Ea: 2.189e+04} - equation: C5H9A-C,DOOH => C3H6 + HO2CH2CHO + OH # Reaction 3010 rate-constant: {A: 3.53e+09, b: 1.2, Ea: 2.19e+04} - equation: C5H9C-A,AOOH => C4H72-1OOH + CH2O + OH # Reaction 3011 rate-constant: {A: 1.96e+09, b: 1.2, Ea: 2.34e+04} - equation: C5H9D-A,AOOH => AC3H5OOH + C2H4 + HO2 # Reaction 3012 rate-constant: {A: 1.978e+08, b: 1.521, Ea: 2.189e+04} - equation: C5H9D-A,BOOH => IC3H5Q + C2H4 + HO2 # Reaction 3013 rate-constant: {A: 1.96e+09, b: 1.2, Ea: 2.34e+04} - equation: IC5KETAA <=> IC5KETAAO + OH # Reaction 3014 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC5KETAB <=> IC5KETABO + OH # Reaction 3015 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.12e+04} - equation: IC5KETAC <=> IC5KETACO + OH # Reaction 3016 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: IC5KETAD <=> IC5KETADO + OH # Reaction 3017 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC5KETCA <=> IC5KETCAO + OH # Reaction 3018 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC5KETCB <=> IC5KETCBO + OH # Reaction 3019 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.12e+04} - equation: IC5KETCD <=> IC5KETCDO + OH # Reaction 3020 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC5KETDA <=> IC5KETDAO + OH # Reaction 3021 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: IC5KETDB <=> IC5KETDBO + OH # Reaction 3022 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.12e+04} - equation: IC5KETDC <=> IC5KETDCO + OH # Reaction 3023 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: IC5KETAAO <=> CH2O + C3H6CHO-3 # Reaction 3024 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETABO <=> C2H5COCH3 + HCO # Reaction 3025 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETACO <=> CH3CHO + CH3CHCHO # Reaction 3026 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETADO <=> CH2O + IC3H6CHO # Reaction 3027 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETCAO <=> CH2O + CH3CHCOCH3 # Reaction 3028 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETCBO <=> CH3COCH3 + CH3CO # Reaction 3029 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETCDO <=> CH2O + IC3H7CO # Reaction 3030 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETDAO <=> CH2O + C3H6CHO-2 # Reaction 3031 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETDBO <=> CH3COCH3 + CH2CHO # Reaction 3032 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: IC5KETDCO <=> IC3H7CHO + HCO # Reaction 3033 rate-constant: {A: 2.9e+12, b: 0.38, Ea: 1.108e+04} - equation: C5H9A-A,BOOH <=> C5H9A-AOOH + HO2 # Reaction 3034 rate-constant: {A: 3.89e+13, b: -0.15, Ea: 1.55e+04} - equation: C5H9A-B,COOH <=> C5H9A-COOH + HO2 # Reaction 3035 rate-constant: {A: 3.89e+13, b: -0.15, Ea: 1.55e+04} - equation: C5H9A-B,DOOH <=> C5H9A-DOOH + HO2 # Reaction 3036 rate-constant: {A: 3.89e+13, b: -0.15, Ea: 1.55e+04} - equation: C5H9B-A,AOOH <=> C5H9A-AOOH + HO2 # Reaction 3037 rate-constant: {A: 1.676e+10, b: 0.92, Ea: 1.45e+04} - equation: C5H9B-A,COOH <=> C5H9A-COOH + HO2 # Reaction 3038 rate-constant: {A: 8.38e+09, b: 0.92, Ea: 1.45e+04} - equation: C5H9B-A,COOH <=> C5H9B-AOOH + HO2 # Reaction 3039 rate-constant: {A: 9.79e+12, b: 0.04, Ea: 1.54e+04} - equation: C5H9B-A,DOOH <=> C5H9A-DOOH + HO2 # Reaction 3040 rate-constant: {A: 8.38e+09, b: 0.92, Ea: 1.45e+04} - equation: C5H9B-C,DOOH <=> C5H9B-DOOH + HO2 # Reaction 3041 rate-constant: {A: 9.79e+12, b: 0.04, Ea: 1.54e+04} - equation: C5H9C-A,BOOH <=> C5H9B-AOOH + HO2 # Reaction 3042 rate-constant: {A: 3.01e+11, b: 0.35, Ea: 1.52e+04} - equation: C5H9C-A,DOOH <=> C5H9C-AOOH + HO2 # Reaction 3043 rate-constant: {A: 6.24e+10, b: 0.72, Ea: 1.5e+04} - equation: C5H9C-B,DOOH <=> C5H9B-DOOH + HO2 # Reaction 3044 rate-constant: {A: 3.01e+11, b: 0.35, Ea: 1.52e+04} - equation: C5H9C-B,DOOH <=> C5H9C-BOOH + HO2 # Reaction 3045 rate-constant: {A: 6.24e+10, b: 0.72, Ea: 1.5e+04} - equation: C5H9D-A,COOH <=> C5H9C-AOOH + HO2 # Reaction 3046 rate-constant: {A: 6.83e+09, b: 0.92, Ea: 1.51e+04} - equation: C5H9D-B,COOH <=> C5H9C-BOOH + HO2 # Reaction 3047 rate-constant: {A: 6.83e+09, b: 0.92, Ea: 1.51e+04} - equation: C5H9A-AOOH => CH2O + C4H71-2 + OH # Reaction 3048 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9A-COOH => CH3CHO + C3H5-T + OH # Reaction 3049 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: C5H9A-DOOH => CH2O + IC4H7 + OH # Reaction 3050 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9B-AOOH => CH2O + C4H72-2 + OH # Reaction 3051 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9B-DOOH => CH2O + IC4H7 + OH # Reaction 3052 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9C-AOOH => CH2O + C4H71-3 + OH # Reaction 3053 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9C-BOOH => CH3COCH3 + C2H3 + OH # Reaction 3054 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.22e+04} - equation: C5H9A-A,BOOH <=> C5H9OA-AOOH-B + OH # Reaction 3055 rate-constant: {A: 4.1e+10, b: 0.36, Ea: 1.72e+04} - equation: C5H9A-A,BOOH <=> C5H9OA-BOOH-A + OH # Reaction 3056 rate-constant: {A: 1.05e+12, b: 0.15, Ea: 9600.0} - equation: C5H9A-A,COOH <=> C5H9OA-AOOH-C + OH # Reaction 3057 rate-constant: {A: 4.1e+10, b: 0.36, Ea: 1.72e+04} - equation: C5H9A-A,COOH <=> C5H9OA-COOH-A + OH # Reaction 3058 rate-constant: {A: 3.792e+07, b: 1.517, Ea: 1.6033e+04} - equation: C5H9A-A,DOOH <=> C5H9OA-AOOH-D + OH # Reaction 3059 rate-constant: {A: 4.1e+10, b: 0.36, Ea: 1.72e+04} - equation: C5H9A-A,DOOH <=> C5H9OA-DOOH-A + OH # Reaction 3060 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: C5H9A-B,COOH <=> C5H9OA-BOOH-C + OH # Reaction 3061 rate-constant: {A: 1.05e+12, b: 0.15, Ea: 9600.0} - equation: C5H9A-B,COOH <=> C5H9OA-COOH-B + OH # Reaction 3062 rate-constant: {A: 3.792e+07, b: 1.517, Ea: 1.6033e+04} - equation: C5H9A-B,DOOH <=> C5H9OA-BOOH-D + OH # Reaction 3063 rate-constant: {A: 1.05e+12, b: 0.15, Ea: 9600.0} - equation: C5H9A-B,DOOH <=> C5H9OA-DOOH-B + OH # Reaction 3064 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: C5H9A-C,DOOH <=> C5H9OA-COOH-D + OH # Reaction 3065 rate-constant: {A: 3.792e+07, b: 1.517, Ea: 1.6033e+04} - equation: C5H9A-C,DOOH <=> C5H9OA-DOOH-C + OH # Reaction 3066 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: C5H9B-A,AOOH <=> C5H9OA-BOOH-A + OH # Reaction 3067 rate-constant: {A: 7.19e+09, b: 0.88, Ea: 9600.0} - equation: C5H9B-A,COOH <=> C5H9OA-BOOH-C + OH # Reaction 3068 rate-constant: {A: 7.19e+09, b: 0.88, Ea: 9600.0} - equation: C5H9B-A,COOH <=> C5H9OB-COOH-A + OH # Reaction 3069 rate-constant: {A: 5.36e+10, b: 0.54, Ea: 8900.0} - equation: C5H9B-A,DOOH <=> C5H9OA-BOOH-D + OH # Reaction 3070 rate-constant: {A: 7.19e+09, b: 0.88, Ea: 9600.0} - equation: C5H9B-A,DOOH <=> C5H9OB-DOOH-A + OH # Reaction 3071 rate-constant: {A: 2.85e+08, b: 0.92, Ea: 1.34e+04} - equation: C5H9B-C,DOOH <=> C5H9OB-COOH-D + OH # Reaction 3072 rate-constant: {A: 5.36e+10, b: 0.54, Ea: 8900.0} - equation: C5H9B-C,DOOH <=> C5H9OB-DOOH-C + OH # Reaction 3073 rate-constant: {A: 2.85e+08, b: 0.92, Ea: 1.34e+04} - equation: C5H9C-A,AOOH <=> C5H9OA-COOH-A + OH # Reaction 3074 rate-constant: {A: 1.701e+09, b: 0.734, Ea: 1.4983e+04} - equation: C5H9C-A,BOOH <=> C5H9OA-COOH-B + OH # Reaction 3075 rate-constant: {A: 1.701e+09, b: 0.734, Ea: 1.4983e+04} - equation: C5H9C-A,BOOH <=> C5H9OB-COOH-A + OH # Reaction 3076 rate-constant: {A: 4.27e+10, b: 0.52, Ea: 8800.0} - equation: C5H9C-A,DOOH <=> C5H9OA-COOH-D + OH # Reaction 3077 rate-constant: {A: 1.701e+09, b: 0.734, Ea: 1.4983e+04} - equation: C5H9C-A,DOOH <=> C5H9OC-DOOH-A + OH # Reaction 3078 rate-constant: {A: 1.12e+10, b: 0.82, Ea: 1.09e+04} - equation: C5H9C-B,DOOH <=> C5H9OB-COOH-D + OH # Reaction 3079 rate-constant: {A: 4.27e+10, b: 0.52, Ea: 8800.0} - equation: C5H9C-B,DOOH <=> C5H9OC-DOOH-B + OH # Reaction 3080 rate-constant: {A: 1.12e+10, b: 0.82, Ea: 1.09e+04} - equation: C5H9D-A,AOOH <=> C5H9OA-DOOH-A + OH # Reaction 3081 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: C5H9D-A,BOOH <=> C5H9OA-DOOH-B + OH # Reaction 3082 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: C5H9D-A,BOOH <=> C5H9OB-DOOH-A + OH # Reaction 3083 rate-constant: {A: 1.03e+10, b: 0.55, Ea: 1.62e+04} - equation: C5H9D-A,COOH <=> C5H9OA-DOOH-C + OH # Reaction 3084 rate-constant: {A: 5.2e+08, b: 0.67, Ea: 1.05e+04} - equation: C5H9D-A,COOH <=> C5H9OC-DOOH-A + OH # Reaction 3085 rate-constant: {A: 1.53e+10, b: 0.64, Ea: 1.05e+04} - equation: C5H9D-B,COOH <=> C5H9OB-DOOH-C + OH # Reaction 3086 rate-constant: {A: 1.03e+10, b: 0.55, Ea: 1.62e+04} - equation: C5H9D-B,COOH <=> C5H9OC-DOOH-B + OH # Reaction 3087 rate-constant: {A: 1.53e+10, b: 0.64, Ea: 1.05e+04} - equation: C5H9OA-AOOH-B => CH2O + C2H5COCH2 + OH # Reaction 3088 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.22e+04} - equation: C5H9OA-BOOH-A => CH2O + C2H5COCH2 + OH # Reaction 3089 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OA-AOOH-C => CH3CHO + C3H5O + OH # Reaction 3090 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: C5H9OA-COOH-A => CH2O + C4H71-O + OH # Reaction 3091 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OA-AOOH-D => CH2O + AC3H5OCH2 + OH # Reaction 3092 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OA-DOOH-A => CH2O + C4H7O1-4 + OH # Reaction 3093 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OA-BOOH-C => CH3CHO + CH3COCH2 + OH # Reaction 3094 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: C5H9OA-COOH-B => CH3CHO + CH3COCH2 + OH # Reaction 3095 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.22e+04} - equation: C5H9OA-BOOH-D => CH2O + IC4H7O + OH # Reaction 3096 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OA-DOOH-B <=> CH3COCH2OCH2CH2 + OH # Reaction 3097 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.22e+04} - equation: C5H9OA-COOH-D => CH2O + IC3H6CHO + OH # Reaction 3098 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OA-DOOH-C => CH2O + IC3H6CHO + OH # Reaction 3099 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: C5H9OB-COOH-A => CH2O + CH3CHCOCH3 + OH # Reaction 3100 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OB-DOOH-A => CH2O + CH2CH2COCH3 + OH # Reaction 3101 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OB-COOH-D => CH2O + TC3H6CHO + OH # Reaction 3102 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OB-DOOH-C => CH3COCH3 + CH2CHO + OH # Reaction 3103 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.26e+04} - equation: C5H9OC-DOOH-A => CH2O + C4H7O2-1 + OH # Reaction 3104 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: C5H9OC-DOOH-B => CH3COCH3 + CH2CHO + OH # Reaction 3105 rate-constant: {A: 6.0e+15, b: 0.0, Ea: 4.22e+04} - equation: CH3COCH2OCH2CH2 => CH2O + C2H4 + CH3CO # Reaction 3106 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 2.55e+04} - equation: A-AC5H10O + OH => CH2O + C4H71-2 + H2O # Reaction 3107 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-BC5H10O + OH => IC3H5CHO + CH3 + H2O # Reaction 3108 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-CC5H10O + OH => C3H6 + CH3CO + H2O # Reaction 3109 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-DC5H10O + OH => C3H6 + CH2CHO + H2O # Reaction 3110 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: B-CC5H10O + OH => IC3H5COCH3 + H + H2O # Reaction 3111 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: B-DC5H10O + OH => IC4H8 + HCO + H2O # Reaction 3112 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C-DC5H10O + OH => CH2CO + IC3H7 + H2O # Reaction 3113 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-AC5H10O + OH => C2H3CHO + C2H5 + H2O # Reaction 3114 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-BC5H10O + OH => CH2O + C4H72-2 + H2O # Reaction 3115 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-CC5H10O + OH => C3H5-T + CH3CHO + H2O # Reaction 3116 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-DC5H10O + OH => CH3CHCHO + C2H4 + H2O # Reaction 3117 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: B-CC5H10O + OH => IC3H5CHO + CH3 + H2O # Reaction 3118 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: B-DC5H10O + OH => CH3COCH3 + C2H3 + H2O # Reaction 3119 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C-DC5H10O + OH => SC3H5CHO + CH3 + H2O # Reaction 3120 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: A-AC5H10O + HO2 => CH2O + C4H71-2 + H2O2 # Reaction 3121 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-BC5H10O + HO2 => IC3H5CHO + CH3 + H2O2 # Reaction 3122 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-CC5H10O + HO2 => C3H6 + CH3CO + H2O2 # Reaction 3123 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-DC5H10O + HO2 => C3H6 + CH2CHO + H2O2 # Reaction 3124 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: B-CC5H10O + HO2 => IC3H5COCH3 + H + H2O2 # Reaction 3125 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: B-DC5H10O + HO2 => IC4H8 + HCO + H2O2 # Reaction 3126 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C-DC5H10O + HO2 => CH2CO + IC3H7 + H2O2 # Reaction 3127 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-AC5H10O + HO2 => C2H3CHO + C2H5 + H2O2 # Reaction 3128 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-BC5H10O + HO2 => CH2O + C4H72-2 + H2O2 # Reaction 3129 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-CC5H10O + HO2 => C3H5-T + CH3CHO + H2O2 # Reaction 3130 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: A-DC5H10O + HO2 => CH3CHCHO + C2H4 + H2O2 # Reaction 3131 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: B-CC5H10O + HO2 => IC3H5CHO + CH3 + H2O2 # Reaction 3132 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: B-DC5H10O + HO2 => CH3COCH3 + C2H3 + H2O2 # Reaction 3133 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C-DC5H10O + HO2 => SC3H5CHO + CH3 + H2O2 # Reaction 3134 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: IC3H5COCH3 <=> IC3H5CO + CH3 # Reaction 3135 rate-constant: {A: 1.903e+22, b: -1.752, Ea: 8.36255e+04} - equation: IC3H5COCH3 <=> C3H5-T + CH3CO # Reaction 3136 rate-constant: {A: 6.07e+24, b: -2.21, Ea: 9.696e+04} - equation: IC3H5COCH3 + OH <=> IC3H5COCH2 + H2O # Reaction 3137 rate-constant: {A: 5.1e+11, b: 0.0, Ea: 1192.0} - equation: IC3H5COCH3 + O <=> IC3H5COCH2 + OH # Reaction 3138 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 5962.0} - equation: IC3H5COCH3 + H <=> IC3H5COCH2 + H2 # Reaction 3139 rate-constant: {A: 9.3e+12, b: 0.0, Ea: 6357.0} - equation: IC3H5COCH3 + CH3 <=> IC3H5COCH2 + CH4 # Reaction 3140 rate-constant: {A: 1.62e+11, b: 0.0, Ea: 9630.0} - equation: IC3H5COCH3 + HO2 <=> IC3H5COCH2 + H2O2 # Reaction 3141 rate-constant: {A: 8.5e+12, b: 0.0, Ea: 2.046e+04} - equation: IC3H5COCH3 + O2 <=> IC3H5COCH2 + HO2 # Reaction 3142 rate-constant: {A: 6.0e+13, b: 0.0, Ea: 4.6e+04} - equation: IC3H5COCH2 <=> C3H5-T + CH2CO # Reaction 3143 rate-constant: {A: 5.972e+14, b: 0.188, Ea: 5.1272e+04} - equation: IC3H5COCH3 + OH <=> AC3H4COCH3 + H2O # Reaction 3144 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: IC3H5COCH3 + O <=> AC3H4COCH3 + OH # Reaction 3145 rate-constant: {A: 6.03e+10, b: 0.7, Ea: 7633.0} - equation: IC3H5COCH3 + H <=> AC3H4COCH3 + H2 # Reaction 3146 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: IC3H5COCH3 + CH3 <=> AC3H4COCH3 + CH4 # Reaction 3147 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: IC3H5COCH3 + HO2 <=> AC3H4COCH3 + H2O2 # Reaction 3148 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: IC3H5COCH3 + O2 <=> AC3H4COCH3 + HO2 # Reaction 3149 rate-constant: {A: 6.03e+13, b: 0.0, Ea: 4.759e+04} - equation: AC3H4COCH3 <=> C3H4-A + CH3CO # Reaction 3150 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 6.0e+04} - equation: NEOC5H12 <=> TC4H9 + CH3 # Reaction 3151 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.57e+105, b: -26.53, Ea: 1.23826e+05} - {P: 0.1 atm, A: 1.6e+101, b: -24.97, Ea: 1.24575e+05} - {P: 0.3 atm, A: 8.94e+97, b: -23.87, Ea: 1.2419e+05} - {P: 1.0 atm, A: 2.36e+93, b: -22.4, Ea: 1.23102e+05} - {P: 2.0 atm, A: 1.79e+90, b: -21.41, Ea: 1.2214e+05} - {P: 5.0 atm, A: 4.0e+85, b: -19.97, Ea: 1.20475e+05} - {P: 10.0 atm, A: 4.99e+81, b: -18.77, Ea: 1.18913e+05} - {P: 20.0 atm, A: 3.1e+77, b: -17.49, Ea: 1.17095e+05} - {P: 50.0 atm, A: 3.55e+71, b: -15.71, Ea: 1.14337e+05} - {P: 100.0 atm, A: 7.57e+66, b: -14.32, Ea: 1.12041e+05} - equation: NEOC5H12 <=> NEOC5H11 + H # Reaction 3152 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.02e+82, b: -20.61, Ea: 1.23687e+05} - {P: 0.1 atm, A: 8.02e+83, b: -20.76, Ea: 1.2766e+05} - {P: 0.3 atm, A: 2.93e+83, b: -20.44, Ea: 1.28998e+05} - {P: 1.0 atm, A: 7.74e+81, b: -19.79, Ea: 1.29931e+05} - {P: 2.0 atm, A: 2.9e+80, b: -19.26, Ea: 1.30191e+05} - {P: 5.0 atm, A: 9.04e+77, b: -18.4, Ea: 1.30162e+05} - {P: 10.0 atm, A: 3.44e+75, b: -17.6, Ea: 1.29792e+05} - {P: 20.0 atm, A: 4.17e+72, b: -16.67, Ea: 1.29063e+05} - {P: 50.0 atm, A: 9.62e+67, b: -15.22, Ea: 1.27494e+05} - {P: 100.0 atm, A: 8.76e+63, b: -13.99, Ea: 1.25858e+05} - equation: NEOC5H12 + O2 <=> NEOC5H11 + HO2 # Reaction 3153 rate-constant: {A: 8.4e+13, b: 0.0, Ea: 5.28e+04} - equation: NEOC5H12 + O <=> NEOC5H11 + OH # Reaction 3154 rate-constant: {A: 2.26e+14, b: 0.0, Ea: 7850.0} - equation: NEOC5H12 + H <=> NEOC5H11 + H2 # Reaction 3155 rate-constant: {A: 6.98e+05, b: 2.69, Ea: 6450.0} - equation: NEOC5H12 + OH <=> NEOC5H11 + H2O # Reaction 3156 rate-constant: {A: 6.567e+07, b: 1.763, Ea: 743.2} - equation: NEOC5H12 + HO2 <=> NEOC5H11 + H2O2 # Reaction 3157 rate-constant: {A: 81.6, b: 3.59, Ea: 1.716e+04} - equation: NEOC5H12 + CH3 <=> NEOC5H11 + CH4 # Reaction 3158 rate-constant: {A: 1.808, b: 3.65, Ea: 7154.0} - equation: NEOC5H12 + CH3O <=> NEOC5H11 + CH3OH # Reaction 3159 rate-constant: {A: 6.0e+11, b: 0.0, Ea: 7000.0} - equation: NEOC5H12 + CH3O2 <=> NEOC5H11 + CH3O2H # Reaction 3160 rate-constant: {A: 2.772, b: 3.97, Ea: 1.828e+04} - equation: NEOC5H12 + C2H5 <=> NEOC5H11 + C2H6 # Reaction 3161 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 1.34e+04} - equation: NEOC5H12 + C2H3 <=> NEOC5H11 + C2H4 # Reaction 3162 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.8e+04} - equation: NEOC5H12 + O2CHO <=> NEOC5H11 + HO2CHO # Reaction 3163 rate-constant: {A: 2.772, b: 3.97, Ea: 1.828e+04} - equation: NEOC5H12 + IC4H6OH <=> NEOC5H11 + IC4H7OH # Reaction 3164 rate-constant: {A: 940.0, b: 3.3, Ea: 1.984e+04} - equation: NEOC5H12 + IC4H7O <=> NEOC5H11 + IC4H7OH # Reaction 3165 rate-constant: {A: 5.4e+11, b: 0.0, Ea: 4000.0} - equation: NEOC5H12 + TC3H6CHO <=> NEOC5H11 + IC3H7CHO # Reaction 3166 rate-constant: {A: 940.0, b: 3.3, Ea: 1.984e+04} - equation: NEOC5H12 + CH2CCH2OH <=> NEOC5H11 + C3H5OH # Reaction 3167 rate-constant: {A: 1.59e+12, b: 0.0, Ea: 2.05e+04} - equation: NEOC5H11 <=> IC4H8 + CH3 # Reaction 3168 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 2.75e+32, b: -6.66, Ea: 3.1143e+04} - {P: 0.1 atm, A: 2.65e+37, b: -7.68, Ea: 3.6912e+04} - {P: 1.0 atm, A: 6.53e+39, b: -7.98, Ea: 4.1554e+04} - {P: 2.0 atm, A: 1.05e+40, b: -7.94, Ea: 4.264e+04} - {P: 5.0 atm, A: 1.19e+40, b: -7.83, Ea: 4.3859e+04} - {P: 10.0 atm, A: 1.13e+40, b: -7.75, Ea: 4.4627e+04} - {P: 20.0 atm, A: 1.15e+40, b: -7.69, Ea: 4.5269e+04} - {P: 50.0 atm, A: 1.44e+40, b: -7.66, Ea: 4.592e+04} - {P: 100.0 atm, A: 1.81e+40, b: -7.67, Ea: 4.6255e+04} - equation: NEOC5H11 + O2 <=> NEOC5H11O2 # Reaction 3169 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: NEOC5H11 + HO2 <=> NEOC5H11O + OH # Reaction 3170 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: NEOC5H11 + CH3O2 <=> NEOC5H11O + CH3O # Reaction 3171 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: NEOC5H11 + NEOC5H11O2 <=> NEOC5H11O + NEOC5H11O # Reaction 3172 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: NEOC5H11O2 <=> NEOC5H10OOH # Reaction 3173 rate-constant: {A: 1.198e+09, b: 1.2, Ea: 2.16e+04} - equation: NEOC5H11O2 + HO2 <=> NEOC5H11O2H + O2 # Reaction 3174 rate-constant: {A: 1.75e+10, b: 0.0, Ea: -3275.0} - equation: NEOC5H11O2 + H2O2 <=> NEOC5H11O2H + HO2 # Reaction 3175 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: NEOC5H12 + NEOC5H11O2 <=> NEOC5H11 + NEOC5H11O2H # Reaction 3176 rate-constant: {A: 2.419e+13, b: 0.0, Ea: 2.043e+04} - equation: NEOC5H11O2 + CH3O2 => NEOC5H11O + CH3O + O2 # Reaction 3177 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: NEOC5H11O2 + NEOC5H11O2 => NEOC5H11O + NEOC5H11O + O2 # Reaction 3178 rate-constant: {A: 1.4e+16, b: -1.61, Ea: 1860.0} - equation: NEOC5H11O2H <=> NEOC5H11O + OH # Reaction 3179 rate-constant: {A: 2.094e+17, b: -0.4, Ea: 4.511e+04} - equation: CH2O + TC4H9 <=> NEOC5H11O # Reaction 3180 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 2330.0} - equation: NEOC5H10OOH <=> NEO-C5H10O + OH # Reaction 3181 rate-constant: {A: 3.71e+09, b: 0.7, Ea: 1.59e+04} - equation: NEOC5H10OOH => OH + CH2O + IC4H8 # Reaction 3182 rate-constant: {A: 3.64e+09, b: 1.3, Ea: 2.37e+04} - equation: NEOC5H10OOH <=> IC4H7OOH + CH3 # Reaction 3183 rate-constant: {A: 1.64e+07, b: 2.0, Ea: 2.83e+04} - equation: NEOC5H10OOH + O2 <=> NEOC5H10OOH-O2 # Reaction 3184 rate-constant: {A: 3.433e+16, b: -1.627, Ea: 198.7} - equation: NEOC5H10OOH-O2 <=> NEOC5H9Q2 # Reaction 3185 rate-constant: {A: 7.987e+08, b: 1.2, Ea: 2.16e+04} - equation: NEOC5H10OOH-O2 <=> NEOC5KET + OH # Reaction 3186 rate-constant: {A: 5.188e+04, b: 1.9, Ea: 1.88e+04} - equation: NEOC5H9Q2 <=> IC4H7OOH + CH2O2H # Reaction 3187 rate-constant: {A: 3.64e+09, b: 1.3, Ea: 2.37e+04} - equation: NEOC5H9Q2 <=> IC4H6Q2-II + CH3 # Reaction 3188 rate-constant: {A: 1.64e+07, b: 2.0, Ea: 2.83e+04} - equation: NEOC5KET <=> NEOC5KETOX + OH # Reaction 3189 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.3e+04} - equation: NEOC5KETOX <=> TC3H6CHO + CH2O # Reaction 3190 rate-constant: {A: 2.475e+21, b: -2.54, Ea: 1.583e+04} - equation: NEOC5H9Q2 <=> NEOC5H9O-OOH + OH # Reaction 3191 rate-constant: {A: 3.71e+09, b: 0.7, Ea: 1.59e+04} - equation: NEOC5H9O-OOH => C3H5-T + CH2O + CH2O + OH # Reaction 3192 rate-constant: {A: 1.0e+16, b: 0.0, Ea: 4.3e+04} - equation: NEO-C5H10O + OH <=> TC4H8CHO + H2O # Reaction 3193 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: NEO-C5H10O + OH => IC4H7 + CH2O + H2O # Reaction 3194 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: NEO-C5H10O + HO2 <=> TC4H8CHO + H2O2 # Reaction 3195 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: NEO-C5H10O + HO2 => IC4H7 + CH2O + H2O2 # Reaction 3196 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: NEO-C5H10O + H <=> TC4H8CHO + H2 # Reaction 3197 rate-constant: {A: 3.544e+07, b: 2.0, Ea: 5000.0} - equation: NEO-C5H10O + H => IC4H7 + CH2O + H2 # Reaction 3198 rate-constant: {A: 1.33e+06, b: 2.54, Ea: 6756.0} - equation: NEO-C5H10O <=> IC4H8 + CH2O # Reaction 3199 rate-constant: {A: 3.8e+15, b: 0.0, Ea: 6.07e+04} - equation: NEOC5KETOX <=> NEOC5KEJOL # Reaction 3200 rate-constant: {A: 1.203e+09, b: 1.199, Ea: 1.36007e+04} - equation: NEOC5KEJOL <=> IC4H8OH + CO # Reaction 3201 rate-constant: {A: 2.273e+21, b: -2.34, Ea: 1.102e+04} - equation: C5H10-1 <=> C2H5 + C3H5-A # Reaction 3202 rate-constant: {A: 9.864e+21, b: -2.086, Ea: 7.506e+04} - equation: C4H71-3 + CH3 (+ M) <=> C5H10-2 (+ M) # Reaction 3203 type: falloff low-P-rate-constant: {A: 3.91e+60, b: -12.81, Ea: 6250.0} high-P-rate-constant: {A: 1.0e+14, b: -0.32, Ea: -262.3} Troe: {A: 0.104, T3: 1606.0, T1: 6.0e+04, T2: 6118.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C5H10-1 + O2 <=> C5H91-5 + HO2 # Reaction 3204 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C5H10-1 + O <=> C5H91-5 + OH # Reaction 3205 rate-constant: {A: 9.8e+05, b: 2.43, Ea: 4750.0} - equation: C5H10-1 + H <=> C5H91-5 + H2 # Reaction 3206 rate-constant: {A: 6.65e+05, b: 2.54, Ea: 6756.0} - equation: C5H10-1 + OH <=> C5H91-5 + H2O # Reaction 3207 rate-constant: {A: 5.27e+09, b: 0.97, Ea: 1586.0} - equation: C5H10-1 + HO2 <=> C5H91-5 + H2O2 # Reaction 3208 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: C5H10-1 + CH3 <=> C5H91-5 + CH4 # Reaction 3209 rate-constant: {A: 0.4521, b: 3.65, Ea: 7154.0} - equation: C5H10-1 + CH3O <=> C5H91-5 + CH3OH # Reaction 3210 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C5H10-1 + CH3O2 <=> C5H91-5 + CH3O2H # Reaction 3211 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: C5H10-2 + O2 <=> C5H92-5 + HO2 # Reaction 3212 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C5H10-2 + O <=> C5H92-5 + OH # Reaction 3213 rate-constant: {A: 9.8e+05, b: 2.43, Ea: 4750.0} - equation: C5H10-2 + H <=> C5H92-5 + H2 # Reaction 3214 rate-constant: {A: 6.651e+05, b: 2.54, Ea: 6756.0} - equation: C5H10-2 + OH <=> C5H92-5 + H2O # Reaction 3215 rate-constant: {A: 5.27e+09, b: 0.97, Ea: 1586.0} - equation: C5H10-2 + HO2 <=> C5H92-5 + H2O2 # Reaction 3216 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: C5H10-2 + CH3 <=> C5H92-5 + CH4 # Reaction 3217 rate-constant: {A: 0.4521, b: 3.65, Ea: 7154.0} - equation: C5H10-2 + CH3O <=> C5H92-5 + CH3OH # Reaction 3218 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C5H10-2 + CH3O2 <=> C5H92-5 + CH3O2H # Reaction 3219 rate-constant: {A: 2.38e+04, b: 2.55, Ea: 1.649e+04} - equation: C5H10-1 + O2 <=> C5H91-4 + HO2 # Reaction 3220 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C5H10-1 + O <=> C5H91-4 + OH # Reaction 3221 rate-constant: {A: 5.51e+05, b: 2.45, Ea: 2830.0} - equation: C5H10-1 + H <=> C5H91-4 + H2 # Reaction 3222 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C5H10-1 + OH <=> C5H91-4 + H2O # Reaction 3223 rate-constant: {A: 4.67e+07, b: 1.61, Ea: -35.0} - equation: C5H10-1 + HO2 <=> C5H91-4 + H2O2 # Reaction 3224 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C5H10-1 + CH3 <=> C5H91-4 + CH4 # Reaction 3225 rate-constant: {A: 1.51, b: 3.46, Ea: 5481.0} - equation: C5H10-1 + CH3O <=> C5H91-4 + CH3OH # Reaction 3226 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C5H10-1 + CH3O2 <=> C5H91-4 + CH3O2H # Reaction 3227 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C5H10-2 + O2 <=> C5H91-3 + HO2 # Reaction 3228 rate-constant: {A: 3.3e+12, b: 0.0, Ea: 3.99e+04} - equation: C5H10-2 + O <=> C5H91-3 + OH # Reaction 3229 rate-constant: {A: 4.41e+05, b: 2.42, Ea: 3150.0} - equation: C5H10-2 + H <=> C5H91-3 + H2 # Reaction 3230 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: C5H10-2 + OH <=> C5H91-3 + H2O # Reaction 3231 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: C5H10-2 + HO2 <=> C5H91-3 + H2O2 # Reaction 3232 rate-constant: {A: 9639.0, b: 2.6, Ea: 1.391e+04} - equation: C5H10-2 + CH3 <=> C5H91-3 + CH4 # Reaction 3233 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: C5H10-2 + CH3O <=> C5H91-3 + CH3OH # Reaction 3234 rate-constant: {A: 90.0, b: 2.95, Ea: 1.199e+04} - equation: C5H10-2 + CH3O2 <=> C5H91-3 + CH3O2H # Reaction 3235 rate-constant: {A: 9639.0, b: 2.6, Ea: 1.391e+04} - equation: C5H10-1 + O2 <=> C5H91-3 + HO2 # Reaction 3236 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C5H10-1 + O <=> C5H91-3 + OH # Reaction 3237 rate-constant: {A: 6.6e+05, b: 2.43, Ea: 1210.0} - equation: C5H10-1 + H <=> C5H91-3 + H2 # Reaction 3238 rate-constant: {A: 3.376e+05, b: 2.36, Ea: 207.0} - equation: C5H10-1 + OH <=> C5H91-3 + H2O # Reaction 3239 rate-constant: {A: 2.764e+04, b: 2.64, Ea: -1919.0} - equation: C5H10-1 + HO2 <=> C5H91-3 + H2O2 # Reaction 3240 rate-constant: {A: 4820.0, b: 2.55, Ea: 1.053e+04} - equation: C5H10-1 + CH3 <=> C5H91-3 + CH4 # Reaction 3241 rate-constant: {A: 3.69, b: 3.31, Ea: 4002.0} - equation: C5H10-1 + CH3O <=> C5H91-3 + CH3OH # Reaction 3242 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C5H10-1 + CH3O2 <=> C5H91-3 + CH3O2H # Reaction 3243 rate-constant: {A: 4820.0, b: 2.55, Ea: 1.053e+04} - equation: C5H10-2 + O2 <=> C5H92-4 + HO2 # Reaction 3244 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C5H10-2 + O <=> C5H92-4 + OH # Reaction 3245 rate-constant: {A: 9.9e+05, b: 2.43, Ea: 1210.0} - equation: C5H10-2 + H <=> C5H92-4 + H2 # Reaction 3246 rate-constant: {A: 3.376e+05, b: 2.36, Ea: 207.0} - equation: C5H10-2 + OH <=> C5H92-4 + H2O # Reaction 3247 rate-constant: {A: 2.764e+04, b: 2.64, Ea: -1919.0} - equation: C5H10-2 + HO2 <=> C5H92-4 + H2O2 # Reaction 3248 rate-constant: {A: 4820.0, b: 2.55, Ea: 1.053e+04} - equation: C5H10-2 + CH3 <=> C5H92-4 + CH4 # Reaction 3249 rate-constant: {A: 3.69, b: 3.31, Ea: 4002.0} - equation: C5H10-2 + CH3O <=> C5H92-4 + CH3OH # Reaction 3250 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C5H10-2 + CH3O2 <=> C5H92-4 + CH3O2H # Reaction 3251 rate-constant: {A: 4820.0, b: 2.55, Ea: 1.053e+04} - equation: C5H10-1 + OH <=> C5H10OH12 # Reaction 3252 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C5H10-2 + OH <=> C5H10OH23 # Reaction 3253 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C5H10OH-2O2 => NC3H7CHO + CH2O + OH # Reaction 3254 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C5H10OH23 + O2 <=> O2C5H10OH23 # Reaction 3255 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: O2C5H10OH23 => C2H5CHO + CH3CHO + OH # Reaction 3256 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C4H6 + CH3 <=> C5H91-3 # Reaction 3257 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H81-3 + H <=> C5H91-3 # Reaction 3258 rate-constant: {A: 2.5e+11, b: 0.51, Ea: 2620.0} - equation: C3H6 + C2H3 <=> C5H91-4 # Reaction 3259 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C2H4 + C3H5-A <=> C5H91-5 # Reaction 3260 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H81-3 + H <=> C5H92-4 # Reaction 3261 rate-constant: {A: 4.24e+11, b: 0.51, Ea: 1230.0} - equation: C2H4 + C3H5-S <=> C5H92-5 # Reaction 3262 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H9O1-3 + OH <=> C5H91-3 + HO2 # Reaction 3263 rate-constant: {A: 6.088e+15, b: -1.07, Ea: 1.572e+04} - equation: C5H9O1-3 + CH3O <=> C5H91-3 + CH3O2 # Reaction 3264 rate-constant: {A: 5.946e+17, b: -1.65, Ea: 2.048e+04} - equation: C5H9O1-3 + C2H5O <=> C5H91-3 + C2H5O2 # Reaction 3265 rate-constant: {A: 3.893e+14, b: -0.72, Ea: 1.833e+04} - equation: C5H9O2-4 + OH <=> C5H92-4 + HO2 # Reaction 3266 rate-constant: {A: 7.027e+15, b: -1.24, Ea: 1.589e+04} - equation: C5H9O2-4 + CH3O <=> C5H92-4 + CH3O2 # Reaction 3267 rate-constant: {A: 6.863e+17, b: -1.82, Ea: 2.065e+04} - equation: C5H9O2-4 + C2H5O <=> C5H92-4 + C2H5O2 # Reaction 3268 rate-constant: {A: 4.493e+14, b: -0.89, Ea: 1.849e+04} - equation: C5H9O1-3 <=> C2H3CHO + C2H5 # Reaction 3269 rate-constant: {A: 3.131e+19, b: -1.85, Ea: 1.067e+04} - equation: C5H9O1-3 <=> C2H5CHO + C2H3 # Reaction 3270 rate-constant: {A: 1.417e+18, b: -1.56, Ea: 2.334e+04} - equation: C5H9O2-4 <=> SC3H5CHO + CH3 # Reaction 3271 rate-constant: {A: 5.983e+15, b: -1.13, Ea: 9941.0} - equation: C5H9O2-4 <=> CH3CHO + C3H5-S # Reaction 3272 rate-constant: {A: 1.073e+22, b: -2.66, Ea: 2.965e+04} - equation: BC5H10 <=> C4H72-2 + CH3 # Reaction 3273 rate-constant: {A: 1.217e+23, b: -1.926, Ea: 1.014e+05} - equation: BC5H10 <=> IC4H7 + CH3 # Reaction 3274 rate-constant: {A: 2.61e+19, b: -1.017, Ea: 7.902e+04} - equation: C4H71-3 + CH3 (+ M) <=> CC5H10 (+ M) # Reaction 3275 type: falloff low-P-rate-constant: {A: 3.91e+60, b: -12.81, Ea: 6250.0} high-P-rate-constant: {A: 1.0e+14, b: -0.32, Ea: -262.3} Troe: {A: 0.104, T3: 1606.0, T1: 6.0e+04, T2: 6118.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: CC5H10 + H <=> CC5H9-A + H2 # Reaction 3276 rate-constant: {A: 3.9e+06, b: 2.4, Ea: 4471.0} - equation: CC5H10 + OH <=> CC5H9-A + H2O # Reaction 3277 rate-constant: {A: 1.4e+08, b: 1.61, Ea: -35.0} - equation: CC5H10 + HO2 <=> CC5H9-A + H2O2 # Reaction 3278 rate-constant: {A: 2.892e+04, b: 2.6, Ea: 1.391e+04} - equation: CC5H10 + CH3 <=> CC5H9-A + CH4 # Reaction 3279 rate-constant: {A: 4.53, b: 3.46, Ea: 5481.0} - equation: CC5H10 + CH3O <=> CC5H9-A + CH3OH # Reaction 3280 rate-constant: {A: 4.35e+11, b: 0.0, Ea: 4571.0} - equation: CC5H10 + CH3O2 <=> CC5H9-A + CH3O2H # Reaction 3281 rate-constant: {A: 2.892e+04, b: 2.6, Ea: 1.391e+04} - equation: BC5H10 + H <=> AC5H9-C + H2 # Reaction 3282 rate-constant: {A: 3.46e+05, b: 2.5, Ea: 2492.0} - equation: BC5H10 + H <=> CC5H9-B + H2 # Reaction 3283 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: BC5H10 + OH <=> AC5H9-C + H2O # Reaction 3284 rate-constant: {A: 6.24e+06, b: 2.0, Ea: -298.0} - equation: BC5H10 + OH <=> CC5H9-B + H2O # Reaction 3285 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: BC5H10 + HO2 <=> AC5H9-C + H2O2 # Reaction 3286 rate-constant: {A: 1.928e+04, b: 2.6, Ea: 1.391e+04} - equation: BC5H10 + HO2 <=> CC5H9-B + H2O2 # Reaction 3287 rate-constant: {A: 9639.0, b: 2.6, Ea: 1.391e+04} - equation: BC5H10 + CH3 <=> AC5H9-C + CH4 # Reaction 3288 rate-constant: {A: 4.42, b: 3.5, Ea: 5675.0} - equation: BC5H10 + CH3 <=> CC5H9-B + CH4 # Reaction 3289 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: BC5H10 + CH3O <=> AC5H9-C + CH3OH # Reaction 3290 rate-constant: {A: 180.0, b: 2.95, Ea: 1.199e+04} - equation: BC5H10 + CH3O <=> CC5H9-B + CH3OH # Reaction 3291 rate-constant: {A: 90.0, b: 2.95, Ea: 1.199e+04} - equation: BC5H10 + CH3O2 <=> AC5H9-C + CH3O2H # Reaction 3292 rate-constant: {A: 1.928e+04, b: 2.6, Ea: 1.391e+04} - equation: BC5H10 + CH3O2 <=> CC5H9-B + CH3O2H # Reaction 3293 rate-constant: {A: 9639.0, b: 2.6, Ea: 1.391e+04} - equation: CC5H10 + H <=> CC5H9-B + H2 # Reaction 3294 rate-constant: {A: 2.65e+06, b: 2.2, Ea: 0.0} - equation: CC5H10 + OH <=> CC5H9-B + H2O # Reaction 3295 rate-constant: {A: 614.0, b: 3.2, Ea: -3500.0} - equation: CC5H10 + HO2 <=> CC5H9-B + H2O2 # Reaction 3296 rate-constant: {A: 1810.0, b: 2.5, Ea: 7154.0} - equation: CC5H10 + CH3 <=> CC5H9-B + CH4 # Reaction 3297 rate-constant: {A: 4.613, b: 3.1, Ea: 2330.0} - equation: CC5H10 + CH3O <=> CC5H9-B + CH3OH # Reaction 3298 rate-constant: {A: 10.0, b: 2.85, Ea: 5231.0} - equation: CC5H10 + CH3O2 <=> CC5H9-B + CH3O2H # Reaction 3299 rate-constant: {A: 1810.0, b: 2.5, Ea: 7154.0} - equation: BC5H10 + OH <=> BC5H10OH # Reaction 3300 rate-constant: {A: 1.0e+12, b: 0.0, Ea: -1042.0} - equation: BC5H10OH + O2 <=> BO2C5H10OH # Reaction 3301 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: BO2C5H10OH => CH3COCH3 + CH3CHO + OH # Reaction 3302 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: CC5H10 + OH <=> CC5H10OH # Reaction 3303 rate-constant: {A: 1.0e+12, b: 0.0, Ea: -1042.0} - equation: CC5H10OH + O2 <=> CO2C5H10OH # Reaction 3304 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: CO2C5H10OH => IC3H7CHO + CH2O + OH # Reaction 3305 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: BC5H10 + OH <=> IC3H7 + CH3CHO # Reaction 3306 rate-constant: {A: 2.0e+10, b: 0.0, Ea: 4000.0} - equation: CC5H10 + OH <=> IC4H9 + CH2O # Reaction 3307 rate-constant: {A: 2.0e+10, b: 0.0, Ea: 4000.0} - equation: AC5H9-A2 + HO2 <=> AC5H9O-A2 + OH # Reaction 3308 rate-constant: {A: 9.64e+12, b: 0.0, Ea: 0.0} - equation: AC5H9-A2 + CH3O2 <=> AC5H9O-A2 + CH3O # Reaction 3309 rate-constant: {A: 9.64e+12, b: 0.0, Ea: 0.0} - equation: AC5H9-A2 + C2H5O2 <=> AC5H9O-A2 + C2H5O # Reaction 3310 rate-constant: {A: 9.64e+12, b: 0.0, Ea: 0.0} - equation: CC5H9-B + HO2 <=> CC5H9O-B + OH # Reaction 3311 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H9-B + CH3O2 <=> CC5H9O-B + CH3O # Reaction 3312 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H9-B + C2H5O2 <=> CC5H9O-B + C2H5O # Reaction 3313 rate-constant: {A: 9.64e+12, b: 0.0, Ea: 0.0} - equation: AC5H9O-A2 <=> C4H71-2 + CH2O # Reaction 3314 rate-constant: {A: 9.21e+17, b: -1.43, Ea: 3.033e+04} - equation: AC5H9-D <=> AC5H9-A2 # Reaction 3315 rate-constant: {A: 1.113e+12, b: 0.0, Ea: 3.17e+04} - equation: AC5H10 <=> C3H5-T + C2H5 # Reaction 3316 rate-constant: {A: 8.922e+24, b: -2.409, Ea: 1.005e+05} - equation: IC4H7 + CH3 (+ M) <=> AC5H10 (+ M) # Reaction 3317 type: falloff low-P-rate-constant: {A: 5.865e+60, b: -12.81, Ea: 6250.0} high-P-rate-constant: {A: 1.5e+14, b: -0.32, Ea: -262.3} Troe: {A: 0.104, T3: 1606.0, T1: 6.0e+04, T2: 6118.0} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: AC5H10 + H <=> AC5H9-A2 + H2 # Reaction 3318 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: AC5H10 + O <=> AC5H9-A2 + OH # Reaction 3319 rate-constant: {A: 3.7e+05, b: 2.56, Ea: -1130.0} - equation: AC5H10 + OH <=> AC5H9-A2 + H2O # Reaction 3320 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: AC5H10 + HO2 <=> AC5H9-A2 + H2O2 # Reaction 3321 rate-constant: {A: 9639.0, b: 2.6, Ea: 1.391e+04} - equation: AC5H10 + CH3 <=> AC5H9-A2 + CH4 # Reaction 3322 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: AC5H10 + CH3O2 <=> AC5H9-A2 + CH3O2H # Reaction 3323 rate-constant: {A: 9639.0, b: 2.6, Ea: 1.391e+04} - equation: AC5H10 + CH3O <=> AC5H9-A2 + CH3OH # Reaction 3324 rate-constant: {A: 90.0, b: 2.95, Ea: 1.199e+04} - equation: AC5H10 + H <=> AC5H9-C + H2 # Reaction 3325 rate-constant: {A: 3.376e+05, b: 2.36, Ea: 207.0} - equation: AC5H10 + OH <=> AC5H9-C + H2O # Reaction 3326 rate-constant: {A: 2.764e+04, b: 2.64, Ea: -1919.0} - equation: AC5H10 + HO2 <=> AC5H9-C + H2O2 # Reaction 3327 rate-constant: {A: 4820.0, b: 2.55, Ea: 1.053e+04} - equation: AC5H10 + CH3 <=> AC5H9-C + CH4 # Reaction 3328 rate-constant: {A: 3.69, b: 3.31, Ea: 4002.0} - equation: AC5H10 + CH3O2 <=> AC5H9-C + CH3O2H # Reaction 3329 rate-constant: {A: 4820.0, b: 2.55, Ea: 1.053e+04} - equation: AC5H10 + CH3O <=> AC5H9-C + CH3OH # Reaction 3330 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: AC5H10 + H <=> AC5H9-D + H2 # Reaction 3331 rate-constant: {A: 1.95e+06, b: 2.4, Ea: 4471.0} - equation: AC5H10 + OH <=> AC5H9-D + H2O # Reaction 3332 rate-constant: {A: 7.01e+07, b: 1.61, Ea: -35.0} - equation: AC5H10 + CH3 <=> AC5H9-D + CH4 # Reaction 3333 rate-constant: {A: 2.27, b: 3.46, Ea: 5481.0} - equation: AC5H10 + HO2 <=> AC5H9-D + H2O2 # Reaction 3334 rate-constant: {A: 1.45e+04, b: 2.6, Ea: 1.391e+04} - equation: AC5H10 + CH3O <=> AC5H9-D + CH3OH # Reaction 3335 rate-constant: {A: 2.18e+11, b: 0.0, Ea: 4571.0} - equation: AC5H10 + CH3O2 <=> AC5H9-D + CH3O2H # Reaction 3336 rate-constant: {A: 1.45e+04, b: 2.6, Ea: 1.391e+04} - equation: AC5H9-A2 <=> C3H4-A + C2H5 # Reaction 3337 rate-constant: {A: 1.983e+20, b: -1.63, Ea: 5.924e+04} - equation: B13DE2M + H <=> AC5H9-C # Reaction 3338 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 1300.0} - equation: C4H612 + CH3 <=> AC5H9-C # Reaction 3339 rate-constant: {A: 1.76e+04, b: 2.48, Ea: 6130.0} - equation: B13DE2M + H <=> AC5H9-D # Reaction 3340 rate-constant: {A: 2.5e+11, b: 0.51, Ea: 2620.0} - equation: AC5H9-D <=> C3H5-T + C2H4 # Reaction 3341 rate-constant: {A: 1.22e+12, b: 0.64, Ea: 2.937e+04} - equation: AC5H10 + OH <=> SC4H9 + CH2O # Reaction 3342 rate-constant: {A: 2.0e+10, b: 0.0, Ea: 4000.0} - equation: AC5H10 + OH <=> AC5H10OH # Reaction 3343 rate-constant: {A: 1.0e+12, b: 0.0, Ea: -1042.0} - equation: AC5H10OH + O2 <=> AO2C5H10OH # Reaction 3344 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: AO2C5H10OH => C2H5COCH3 + CH2O + OH # Reaction 3345 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: AC5H10 + O <=> SC4H9 + HCO # Reaction 3346 rate-constant: {A: 7.23e+05, b: 2.34, Ea: -1050.0} - equation: AC5H10 + O <=> IC3H7 + CH3CO # Reaction 3347 rate-constant: {A: 7.23e+05, b: 2.34, Ea: -1050.0} - equation: AC5H10 + O <=> IC4H9 + HCO # Reaction 3348 rate-constant: {A: 7.23e+05, b: 2.34, Ea: -1050.0} - equation: AC5H9-C + HO2 <=> AC5H9O-C + OH # Reaction 3349 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H9-C + CH3O2 <=> AC5H9O-C + CH3O # Reaction 3350 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H9-C + C2H5O2 <=> AC5H9O-C + C2H5O # Reaction 3351 rate-constant: {A: 9.64e+12, b: 0.0, Ea: 0.0} - equation: CH3CHO + C3H5-T <=> AC5H9O-C # Reaction 3352 rate-constant: {A: 945.0, b: 2.67, Ea: 6850.0} - equation: AC5H9-C + HO2 <=> B2E2M1OJ + OH # Reaction 3353 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: AC5H9-C + CH3O2 <=> B2E2M1OJ + CH3O # Reaction 3354 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CH2O + C4H72-2 <=> B2E2M1OJ # Reaction 3355 rate-constant: {A: 8800.0, b: 2.48, Ea: 6100.0} - equation: C2H3 + C3H5-T <=> B13DE2M # Reaction 3356 rate-constant: {A: 8.0e+12, b: 0.0, Ea: 0.0} - equation: H + B13DE2MJ <=> B13DE2M # Reaction 3357 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: B13DE2M + H <=> B13DE2MJ + H2 # Reaction 3358 rate-constant: {A: 3.644e+05, b: 2.455, Ea: 4361.2} - equation: B13DE2M + O2 <=> B13DE2MJ + HO2 # Reaction 3359 rate-constant: {A: 5.96e+19, b: -1.67, Ea: 4.61921e+04} - equation: B13DE2M + OH <=> B13DE2MJ + H2O # Reaction 3360 rate-constant: {A: 4.46e+06, b: 2.072, Ea: 1050.8} - equation: B13DE2M + HO2 <=> B13DE2MJ + H2O2 # Reaction 3361 rate-constant: {A: 0.0307, b: 4.403, Ea: 1.35472e+04} - equation: B13DE2M + CH3 <=> B13DE2MJ + CH4 # Reaction 3362 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: B13DE2M + CH3O2 <=> B13DE2MJ + CH3O2H # Reaction 3363 rate-constant: {A: 0.0768, b: 4.403, Ea: 1.35472e+04} - equation: C2H3 + C3H4-A <=> B13DE2MJ # Reaction 3364 rate-constant: {A: 945.0, b: 2.67, Ea: 6850.0} - equation: B13DE2M + H <=> CC5H9-B # Reaction 3365 rate-constant: {A: 4.24e+11, b: 0.51, Ea: 1230.0} - equation: B13DE2M + H <=> CC5H9-A # Reaction 3366 rate-constant: {A: 2.5e+11, b: 0.51, Ea: 2620.0} - equation: B12DE3M + H <=> CC5H9-B # Reaction 3367 rate-constant: {A: 4.24e+11, b: 0.51, Ea: 1230.0} - equation: C2H3 + C3H6 <=> CC5H9-A # Reaction 3368 rate-constant: {A: 945.0, b: 2.67, Ea: 6850.0} - equation: C2H3 + CH3COCH3 <=> CC5H9O-B # Reaction 3369 rate-constant: {A: 945.0, b: 2.67, Ea: 6850.0} - equation: CC5H9-B + HO2 <=> B2E3M1OJ + OH # Reaction 3370 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CC5H9-B + CH3O2 <=> B2E3M1OJ + CH3O # Reaction 3371 rate-constant: {A: 7.0e+12, b: 0.0, Ea: -1000.0} - equation: CH2O + IC4H7-I1 <=> B2E3M1OJ # Reaction 3372 rate-constant: {A: 8800.0, b: 2.48, Ea: 6100.0} - equation: TC4H8CHO <=> IC3H5CHO + CH3 # Reaction 3373 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2.629e+04} - equation: TC4H8CHO <=> IC4H8 + HCO # Reaction 3374 rate-constant: {A: 8.52e+12, b: 0.0, Ea: 2.009e+04} - equation: TC4H8CHO + O2 <=> O2C4H8CHO # Reaction 3375 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: O2C4H8CHO <=> O2HC4H8CO # Reaction 3376 rate-constant: {A: 2.16e+11, b: 0.0, Ea: 1.536e+04} - equation: IC4H8O2H-T + CO <=> O2HC4H8CO # Reaction 3377 rate-constant: {A: 1.5e+11, b: 0.0, Ea: 4809.0} - equation: C2H5 + C2H3CHO <=> PC4H8CHO-1 # Reaction 3378 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH3 + AC3H5CHO <=> PC4H8CHO-2 # Reaction 3379 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C4H8-1 + HCO <=> PC4H8CHO-2 # Reaction 3380 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 6000.0} - equation: C3H6 + CH2CHO <=> PC4H8CHO-3 # Reaction 3381 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C2H4 + CH2CH2CHO <=> PC4H8CHO-4 # Reaction 3382 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C3H5-A + HCO <=> AC3H5CHO # Reaction 3383 rate-constant: {A: 1.81e+13, b: 0.0, Ea: 0.0} - equation: PC4H9CHO + O2 <=> PC4H9CO + HO2 # Reaction 3384 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04} - equation: PC4H9CHO + O <=> PC4H9CO + OH # Reaction 3385 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: PC4H9CHO + H <=> PC4H9CO + H2 # Reaction 3386 rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0} - equation: PC4H9CHO + OH <=> PC4H9CO + H2O # Reaction 3387 rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0} - equation: PC4H9CHO + HO2 <=> PC4H9CO + H2O2 # Reaction 3388 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: PC4H9CHO + CH3 <=> PC4H9CO + CH4 # Reaction 3389 rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0} - equation: PC4H9CHO + CH3O2 <=> PC4H9CO + CH3O2H # Reaction 3390 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: PC4H9CHO + OH <=> PC4H8CHO-1 + H2O # Reaction 3391 rate-constant: {A: 552.0, b: 3.12, Ea: -1176.0} - equation: PC4H9CHO + OH <=> PC4H8CHO-2 + H2O # Reaction 3392 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: PC4H9CHO + OH <=> PC4H8CHO-3 + H2O # Reaction 3393 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: PC4H9CHO + OH <=> PC4H8CHO-4 + H2O # Reaction 3394 rate-constant: {A: 5.28e+09, b: 0.97, Ea: 1586.0} - equation: PC4H9CHO + HO2 <=> PC4H8CHO-1 + H2O2 # Reaction 3395 rate-constant: {A: 3.44e+12, b: 0.05, Ea: 1.788e+04} - equation: PC4H9CHO + HO2 <=> PC4H8CHO-2 + H2O2 # Reaction 3396 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: PC4H9CHO + HO2 <=> PC4H8CHO-3 + H2O2 # Reaction 3397 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: PC4H9CHO + HO2 <=> PC4H8CHO-4 + H2O2 # Reaction 3398 rate-constant: {A: 2.379e+04, b: 2.55, Ea: 1.649e+04} - equation: PC4H9CHO + CH3O2 <=> PC4H8CHO-1 + CH3O2H # Reaction 3399 rate-constant: {A: 3.44e+12, b: 0.05, Ea: 1.788e+04} - equation: PC4H9CHO + CH3O2 <=> PC4H8CHO-2 + CH3O2H # Reaction 3400 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: PC4H9CHO + CH3O2 <=> PC4H8CHO-3 + CH3O2H # Reaction 3401 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: PC4H9CHO + CH3O2 <=> PC4H8CHO-4 + CH3O2H # Reaction 3402 rate-constant: {A: 2.379e+04, b: 2.55, Ea: 1.649e+04} - equation: PC4H9CO <=> NC3H7 + CH2CO # Reaction 3403 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9600.0} - equation: PC4H9CO <=> PC4H9 + CO # Reaction 3404 rate-constant: {A: 5.78e+14, b: 0.0, Ea: 1.68435e+04} - equation: PC4H8CHO-1 + O2 <=> PC4H8CHO-1O2 # Reaction 3405 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: PC4H8CHO-2 + O2 <=> PC4H8CHO-2O2 # Reaction 3406 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: PC4H8CHO-3 + O2 <=> PC4H8CHO-3O2 # Reaction 3407 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: PC4H8CHO-4 + O2 <=> PC4H8CHO-4O2 # Reaction 3408 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: PC4H8CHO-1O2 <=> C4H7CHO-2 + HO2 # Reaction 3409 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: PC4H8CHO-2O2 <=> C4H7CHO-2 + HO2 # Reaction 3410 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: PC4H8CHO-2O2 <=> C4H7CHO-3 + HO2 # Reaction 3411 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: PC4H8CHO-3O2 <=> C4H7CHO-3 + HO2 # Reaction 3412 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: PC4H8CHO-3O2 <=> C4H7CHO-4 + HO2 # Reaction 3413 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: PC4H8CHO-4O2 <=> C4H7CHO-4 + HO2 # Reaction 3414 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C4H7CHO-2 + OH => C4H71-1 + CO + H2O # Reaction 3415 rate-constant: {A: 1.7e+12, b: 0.0, Ea: -619.0} - equation: C4H7CHO-3 + OH => C4H72-2 + CO + H2O # Reaction 3416 rate-constant: {A: 1.7e+12, b: 0.0, Ea: -619.0} - equation: C4H7CHO-3 + OH => C4H6 + HCO + H2O # Reaction 3417 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: C4H7CHO-4 + OH => C4H71-4 + CO + H2O # Reaction 3418 rate-constant: {A: 1.7e+12, b: 0.0, Ea: -619.0} - equation: C4H7CHO-4 + OH => C4H6 + HCO + H2O # Reaction 3419 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: C3H5O + C2H4 <=> C5H9O12-5 # Reaction 3420 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH2CH2CHO + C2H4 <=> C5H9O13-5 # Reaction 3421 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH2O + C4H71-4 <=> C5H9O14-5 # Reaction 3422 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C2H3CHO + C2H5 <=> C5H9O23-1 # Reaction 3423 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH3CHCHO + C2H4 <=> C5H9O23-5 # Reaction 3424 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH3CHO + C3H5-A <=> C5H9O24-1 # Reaction 3425 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: CH3CO + NC3H7 <=> NC3H7COCH3 # Reaction 3426 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: NC3H7COCH3 + OH <=> NC3H7COCH2 + H2O # Reaction 3427 rate-constant: {A: 399.0, b: 3.08, Ea: 944.0} - equation: NC3H7COCH3 + HO2 <=> NC3H7COCH2 + H2O2 # Reaction 3428 rate-constant: {A: 0.0414, b: 4.07, Ea: 1.62533e+04} - equation: NC3H7COCH3 + OH <=> CH3CH2CHCOCH3 + H2O # Reaction 3429 rate-constant: {A: 236.0, b: 3.15, Ea: 3050.4} - equation: NC3H7COCH3 + HO2 <=> CH3CH2CHCOCH3 + H2O2 # Reaction 3430 rate-constant: {A: 0.356, b: 3.69, Ea: 1.30996e+04} - equation: NC3H7COCH3 + OH <=> CH3CHCH2COCH3 + H2O # Reaction 3431 rate-constant: {A: 414.0, b: 3.0, Ea: 2440.0} - equation: NC3H7COCH3 + HO2 <=> CH3CHCH2COCH3 + H2O2 # Reaction 3432 rate-constant: {A: 1.15e-03, b: 4.43, Ea: 1.13648e+04} - equation: NC3H7COCH3 + OH <=> CH2CH2CH2COCH3 + H2O # Reaction 3433 rate-constant: {A: 2.732e+07, b: 1.813, Ea: 868.4} - equation: NC3H7COCH3 + HO2 <=> CH2CH2CH2COCH3 + H2O2 # Reaction 3434 rate-constant: {A: 0.444, b: 3.88, Ea: 1.58141e+04} - equation: C2H5COC2H5 + OH <=> CH2CH2COC2H5 + H2O # Reaction 3435 rate-constant: {A: 2.7, b: 3.81, Ea: 2899.3} - equation: C2H5COC2H5 + HO2 <=> CH2CH2COC2H5 + H2O2 # Reaction 3436 rate-constant: {A: 6.18e-05, b: 4.91, Ea: 1.40813e+04} - equation: C2H5COC2H5 + OH <=> CH3CHCOC2H5 + H2O # Reaction 3437 rate-constant: {A: 236.0, b: 3.15, Ea: 3050.4} - equation: C2H5COC2H5 + HO2 <=> CH3CHCOC2H5 + H2O2 # Reaction 3438 rate-constant: {A: 0.0842, b: 3.93, Ea: 1.33898e+04} - equation: NC3H7 + CH2CO <=> NC3H7COCH2 # Reaction 3439 rate-constant: {A: 3630.0, b: 2.43, Ea: 8960.0} - equation: C2H3COCH3 + CH3 <=> CH3CH2CHCOCH3 # Reaction 3440 rate-constant: {A: 1.76e+04, b: 2.48, Ea: 6130.0} - equation: C3H6 + CH3CO <=> CH3CHCH2COCH3 # Reaction 3441 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C2H4 + CH3COCH2 <=> CH2CH2CH2COCH3 # Reaction 3442 rate-constant: {A: 1.32e+04, b: 2.48, Ea: 6130.0} - equation: C2H4 + C2H5CO <=> CH2CH2COC2H5 # Reaction 3443 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: CH3CHCO + C2H5 <=> CH3CHCOC2H5 # Reaction 3444 rate-constant: {A: 3630.0, b: 2.43, Ea: 8960.0} - equation: CH3CH2CHCOCH3 + O2 <=> NC52ONEO2-3 # Reaction 3445 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: CH3CHCH2COCH3 + O2 <=> NC52ONEO2-4 # Reaction 3446 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: CH2CH2CH2COCH3 + O2 <=> NC52ONEO2-5 # Reaction 3447 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: CH2CH2COC2H5 + O2 <=> NC53ONEO2-1 # Reaction 3448 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: CH3CHCOC2H5 + O2 <=> NC53ONEO2-2 # Reaction 3449 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 0.0} - equation: NC52ONEO2-3 <=> NC52ONE-3 + HO2 # Reaction 3450 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: NC52ONEO2-4 <=> NC52ONE-3 + HO2 # Reaction 3451 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: NC52ONEO2-4 <=> NC52ONE-4 + HO2 # Reaction 3452 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: NC52ONEO2-5 <=> NC52ONE-4 + HO2 # Reaction 3453 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: NC53ONEO2-1 <=> NC53ONE-1 + HO2 # Reaction 3454 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: NC53ONEO2-2 <=> NC53ONE-1 + HO2 # Reaction 3455 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: NC52ONE-3 + OH => CH2CO + C3H5-S + H2O # Reaction 3456 rate-constant: {A: 4.46e+06, b: 2.072, Ea: 1050.8} - equation: NC52ONE-4 + OH => CH2CO + C3H5-A + H2O # Reaction 3457 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: NC53ONE-1 + OH => CH3CHCO + C2H3 + H2O # Reaction 3458 rate-constant: {A: 236.0, b: 3.15, Ea: 3050.4} - equation: NC5H11OH + OH <=> C5H10OH15 + H2O # Reaction 3459 rate-constant: {A: 5.28e+09, b: 0.97, Ea: 1590.0} - equation: NC5H11OH + HO2 <=> C5H10OH15 + H2O2 # Reaction 3460 rate-constant: {A: 20.4, b: 3.59, Ea: 1.716e+04} - equation: NC5H11OH + OH <=> C5H10OH14 + H2O # Reaction 3461 rate-constant: {A: 4.67e+07, b: 1.61, Ea: -35.0} - equation: NC5H11OH + HO2 <=> C5H10OH14 + H2O2 # Reaction 3462 rate-constant: {A: 63.2, b: 3.37, Ea: 1.372e+04} - equation: NC5H11OH + OH <=> C5H10OH13 + H2O # Reaction 3463 rate-constant: {A: 1141.0, b: 2.87, Ea: -2926.0} - equation: NC5H11OH + HO2 <=> C5H10OH13 + H2O2 # Reaction 3464 rate-constant: {A: 2.76e-04, b: 4.76, Ea: 1.185e+04} - equation: NC5H11OH + OH <=> C5H10OH12 + H2O # Reaction 3465 rate-constant: {A: 1.54, b: 3.7, Ea: -3736.0} - equation: NC5H11OH + HO2 <=> C5H10OH12 + H2O2 # Reaction 3466 rate-constant: {A: 7.51e-03, b: 4.52, Ea: 1.471e+04} - equation: NC5H11OH + OH <=> C5H10OH11 + H2O # Reaction 3467 rate-constant: {A: 3610.0, b: 2.89, Ea: -2291.0} - equation: NC5H11OH + HO2 <=> C5H10OH11 + H2O2 # Reaction 3468 rate-constant: {A: 3.5e-05, b: 5.26, Ea: 8268.0} - equation: NC5H11OH + OH <=> C5H11O-1 + H2O # Reaction 3469 rate-constant: {A: 588.0, b: 2.82, Ea: -585.0} - equation: NC5H11OH + HO2 <=> C5H11O-1 + H2O2 # Reaction 3470 rate-constant: {A: 6.47e-07, b: 5.3, Ea: 1.053e+04} - equation: C5H10OH15 => C2H4 + C2H4 + CH2OH # Reaction 3471 rate-constant: {A: 5.168e+13, b: 0.103, Ea: 2.90838e+04} - equation: C3H6 + PC2H4OH <=> C5H10OH14 # Reaction 3472 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C4H71-4OH + CH3 <=> C5H10OH13 # Reaction 3473 rate-constant: {A: 1.76e+04, b: 2.48, Ea: 6130.0} - equation: C4H8-1 + CH2OH <=> C5H10OH13 # Reaction 3474 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C3H5OH + C2H5 <=> C5H10OH12 # Reaction 3475 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C2H3OH + NC3H7 <=> C5H10OH11 # Reaction 3476 rate-constant: {A: 8800.0, b: 2.48, Ea: 6130.0} - equation: C5H10OH11 + O2 <=> C5H10OH-1O2 # Reaction 3477 rate-constant: {A: 5.0e+11, b: 0.0, Ea: 0.0} - equation: C5H10OH12 + O2 <=> C5H10OH-2O2 # Reaction 3478 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: C5H10OH13 + O2 <=> C5H10OH-3O2 # Reaction 3479 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: C5H10OH14 + O2 <=> C5H10OH-4O2 # Reaction 3480 rate-constant: {A: 3.487e+14, b: -0.816, Ea: -536.5} - equation: C5H10OH15 + O2 <=> C5H10OH-5O2 # Reaction 3481 rate-constant: {A: 6.865e+16, b: -1.627, Ea: 198.7} - equation: C5H10OH-1O2 <=> C5H9OH1-1 + HO2 # Reaction 3482 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-2O2 <=> C5H9OH1-1 + HO2 # Reaction 3483 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-2O2 <=> C5H9OH1-2 + HO2 # Reaction 3484 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-3O2 <=> C5H9OH1-2 + HO2 # Reaction 3485 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-3O2 <=> C5H9OH1-3 + HO2 # Reaction 3486 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-4O2 <=> C5H9OH1-3 + HO2 # Reaction 3487 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-4O2 <=> C5H9OH1-4 + HO2 # Reaction 3488 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H10OH-5O2 <=> C5H9OH1-4 + HO2 # Reaction 3489 rate-constant: {A: 2.885e+09, b: 0.93, Ea: 2.98e+04} - equation: C5H9OH1-1 + OH => C4H7CHO-2 + H + H2O # Reaction 3490 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: C5H9OH1-2 + OH => C4H7CHO-2 + H + H2O # Reaction 3491 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: C5H9OH1-2 + OH => C5H81-3 + OH + H2O # Reaction 3492 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: C5H9OH1-3 + OH => C5H81-3 + OH + H2O # Reaction 3493 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: C5H9OH1-4 + OH => C4H6 + CH2OH + H2O # Reaction 3494 rate-constant: {A: 1.01e+06, b: 2.2, Ea: -437.2} - equation: NC6H14 <=> CH3 + C5H11-1 # Reaction 3495 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.92e+94, b: -23.05, Ea: 1.24349e+05} - {P: 0.1 atm, A: 7.1e+83, b: -19.75, Ea: 1.21206e+05} - {P: 1.0 atm, A: 3.98e+68, b: -15.14, Ea: 1.14401e+05} - {P: 2.0 atm, A: 2.52e+63, b: -13.59, Ea: 1.11809e+05} - {P: 5.0 atm, A: 2.51e+56, b: -11.52, Ea: 1.08177e+05} - {P: 10.0 atm, A: 1.45e+51, b: -9.98, Ea: 1.05372e+05} - {P: 20.0 atm, A: 1.3e+46, b: -8.5, Ea: 1.02608e+05} - {P: 50.0 atm, A: 8.78e+39, b: -6.7, Ea: 9.9154e+04} - equation: NC6H14 <=> C2H5 + PC4H9 # Reaction 3496 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.84e+96, b: -23.49, Ea: 1.23675e+05} - {P: 0.1 atm, A: 3.95e+85, b: -20.04, Ea: 1.20116e+05} - {P: 1.0 atm, A: 1.16e+70, b: -15.35, Ea: 1.13057e+05} - {P: 2.0 atm, A: 6.94e+64, b: -13.8, Ea: 1.10428e+05} - {P: 5.0 atm, A: 7.03e+57, b: -11.74, Ea: 1.06773e+05} - {P: 10.0 atm, A: 4.38e+52, b: -10.21, Ea: 1.03971e+05} - {P: 20.0 atm, A: 4.45e+47, b: -8.74, Ea: 1.01224e+05} - {P: 50.0 atm, A: 3.73e+41, b: -6.97, Ea: 9.7811e+04} - equation: NC6H14 <=> NC3H7 + NC3H7 # Reaction 3497 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.73e+97, b: -23.89, Ea: 1.24152e+05} - {P: 0.1 atm, A: 1.93e+87, b: -20.53, Ea: 1.20839e+05} - {P: 1.0 atm, A: 8.22e+71, b: -15.89, Ea: 1.13924e+05} - {P: 2.0 atm, A: 5.07e+66, b: -14.34, Ea: 1.11315e+05} - {P: 5.0 atm, A: 5.06e+59, b: -12.27, Ea: 1.07672e+05} - {P: 10.0 atm, A: 3.0e+54, b: -10.74, Ea: 1.04866e+05} - {P: 20.0 atm, A: 2.82e+49, b: -9.26, Ea: 1.02108e+05} - {P: 50.0 atm, A: 2.07e+43, b: -7.47, Ea: 9.8669e+04} - equation: NC6H14 <=> C6H13-1 + H # Reaction 3498 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.14e+82, b: -20.07, Ea: 1.28443e+05} - {P: 0.1 atm, A: 4.84e+78, b: -18.72, Ea: 1.30156e+05} - {P: 1.0 atm, A: 1.57e+68, b: -15.39, Ea: 1.27126e+05} - {P: 2.0 atm, A: 5.74e+63, b: -14.04, Ea: 1.25268e+05} - {P: 5.0 atm, A: 1.75e+57, b: -12.08, Ea: 1.22267e+05} - {P: 10.0 atm, A: 9.88e+51, b: -10.51, Ea: 1.19684e+05} - {P: 20.0 atm, A: 4.44e+46, b: -8.93, Ea: 1.16936e+05} - {P: 50.0 atm, A: 5.14e+39, b: -6.89, Ea: 1.13232e+05} - equation: NC6H14 <=> C6H13-2 + H # Reaction 3499 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.12e+85, b: -21.09, Ea: 1.27902e+05} - {P: 0.1 atm, A: 2.57e+80, b: -19.16, Ea: 1.28267e+05} - {P: 1.0 atm, A: 2.05e+68, b: -15.39, Ea: 1.24032e+05} - {P: 2.0 atm, A: 3.71e+63, b: -13.95, Ea: 1.21912e+05} - {P: 5.0 atm, A: 6.39e+56, b: -11.93, Ea: 1.18663e+05} - {P: 10.0 atm, A: 3.07e+51, b: -10.35, Ea: 1.1597e+05} - {P: 20.0 atm, A: 1.46e+46, b: -8.78, Ea: 1.13177e+05} - {P: 50.0 atm, A: 2.41e+39, b: -6.79, Ea: 1.09502e+05} - equation: NC6H14 <=> C6H13-3 + H # Reaction 3500 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.12e+85, b: -21.09, Ea: 1.27902e+05} - {P: 0.1 atm, A: 2.57e+80, b: -19.16, Ea: 1.28267e+05} - {P: 1.0 atm, A: 2.05e+68, b: -15.39, Ea: 1.24032e+05} - {P: 2.0 atm, A: 3.71e+63, b: -13.95, Ea: 1.21912e+05} - {P: 5.0 atm, A: 6.39e+56, b: -11.93, Ea: 1.18663e+05} - {P: 10.0 atm, A: 3.07e+51, b: -10.35, Ea: 1.1597e+05} - {P: 20.0 atm, A: 1.46e+46, b: -8.78, Ea: 1.13177e+05} - {P: 50.0 atm, A: 2.41e+39, b: -6.79, Ea: 1.09502e+05} - equation: NC6H14 + H <=> C6H13-1 + H2 # Reaction 3501 rate-constant: {A: 3.49e+05, b: 2.7, Ea: 6450.0} - equation: NC6H14 + H <=> C6H13-2 + H2 # Reaction 3502 rate-constant: {A: 2.6e+06, b: 2.4, Ea: 4471.0} - equation: NC6H14 + H <=> C6H13-3 + H2 # Reaction 3503 rate-constant: {A: 2.6e+06, b: 2.4, Ea: 4471.0} - equation: NC6H14 + O <=> C6H13-1 + OH # Reaction 3504 rate-constant: {A: 1.13e+14, b: 0.0, Ea: 7850.0} - equation: NC6H14 + O <=> C6H13-2 + OH # Reaction 3505 rate-constant: {A: 5.62e+13, b: 0.0, Ea: 5200.0} - equation: NC6H14 + O <=> C6H13-3 + OH # Reaction 3506 rate-constant: {A: 5.62e+13, b: 0.0, Ea: 5200.0} - equation: NC6H14 + OH <=> C6H13-1 + H2O # Reaction 3507 rate-constant: {A: 2.731e+07, b: 1.813, Ea: 818.1} - equation: NC6H14 + OH <=> C6H13-2 + H2O # Reaction 3508 rate-constant: {A: 1.41e+10, b: 0.935, Ea: 475.5} - equation: NC6H14 + OH <=> C6H13-3 + H2O # Reaction 3509 rate-constant: {A: 1.144e+07, b: 1.811, Ea: -956.6} - equation: NC6H14 + O2 <=> C6H13-1 + HO2 # Reaction 3510 rate-constant: {A: 4.2e+13, b: 0.0, Ea: 5.28e+04} - equation: NC6H14 + O2 <=> C6H13-2 + HO2 # Reaction 3511 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 5.016e+04} - equation: NC6H14 + O2 <=> C6H13-3 + HO2 # Reaction 3512 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 5.016e+04} - equation: NC6H14 + HO2 <=> C6H13-1 + H2O2 # Reaction 3513 rate-constant: {A: 40.8, b: 3.59, Ea: 1.716e+04} - equation: NC6H14 + HO2 <=> C6H13-2 + H2O2 # Reaction 3514 rate-constant: {A: 126.4, b: 3.37, Ea: 1.372e+04} - equation: NC6H14 + HO2 <=> C6H13-3 + H2O2 # Reaction 3515 rate-constant: {A: 126.4, b: 3.37, Ea: 1.372e+04} - equation: NC6H14 + CH3 <=> C6H13-1 + CH4 # Reaction 3516 rate-constant: {A: 0.904, b: 3.6, Ea: 7154.0} - equation: NC6H14 + CH3 <=> C6H13-2 + CH4 # Reaction 3517 rate-constant: {A: 1.68e+05, b: 2.1, Ea: 7574.0} - equation: NC6H14 + CH3 <=> C6H13-3 + CH4 # Reaction 3518 rate-constant: {A: 1.68e+05, b: 2.1, Ea: 7574.0} - equation: NC6H14 + CH3O <=> C6H13-1 + CH3OH # Reaction 3519 rate-constant: {A: 3.0e+11, b: 0.0, Ea: 7000.0} - equation: NC6H14 + CH3O <=> C6H13-2 + CH3OH # Reaction 3520 rate-constant: {A: 2.2e+11, b: 0.0, Ea: 5000.0} - equation: NC6H14 + CH3O <=> C6H13-3 + CH3OH # Reaction 3521 rate-constant: {A: 2.2e+11, b: 0.0, Ea: 5000.0} - equation: NC6H14 + CH3O2 <=> C6H13-1 + CH3O2H # Reaction 3522 rate-constant: {A: 14.4, b: 3.7, Ea: 1.68e+04} - equation: NC6H14 + CH3O2 <=> C6H13-2 + CH3O2H # Reaction 3523 rate-constant: {A: 105.0, b: 3.49, Ea: 1.34e+04} - equation: NC6H14 + CH3O2 <=> C6H13-3 + CH3O2H # Reaction 3524 rate-constant: {A: 105.0, b: 3.49, Ea: 1.34e+04} - equation: NC6H14 + O2CHO <=> C6H13-1 + HO2CHO # Reaction 3525 rate-constant: {A: 14.4, b: 3.7, Ea: 1.68e+04} - equation: NC6H14 + O2CHO <=> C6H13-2 + HO2CHO # Reaction 3526 rate-constant: {A: 105.0, b: 3.49, Ea: 1.34e+04} - equation: NC6H14 + O2CHO <=> C6H13-3 + HO2CHO # Reaction 3527 rate-constant: {A: 105.0, b: 3.49, Ea: 1.34e+04} - equation: NC6H14 + C2H3 <=> C6H13-1 + C2H4 # Reaction 3528 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.8e+04} - equation: NC6H14 + C2H3 <=> C6H13-2 + C2H4 # Reaction 3529 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC6H14 + C2H3 <=> C6H13-3 + C2H4 # Reaction 3530 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC6H14 + C2H5 <=> C6H13-1 + C2H6 # Reaction 3531 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.34e+04} - equation: NC6H14 + C2H5 <=> C6H13-2 + C2H6 # Reaction 3532 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: NC6H14 + C2H5 <=> C6H13-3 + C2H6 # Reaction 3533 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: C6H13-1 <=> C2H4 + PC4H9 # Reaction 3534 rate-constant: {A: 1.023e+12, b: 0.3, Ea: 2.72763e+04} - equation: C6H13-2 <=> C3H6 + NC3H7 # Reaction 3535 rate-constant: {A: 4.467e+11, b: 0.57, Ea: 2.80473e+04} - equation: C6H13-3 <=> C2H5 + C4H8-1 # Reaction 3536 rate-constant: {A: 3.548e+12, b: 0.29, Ea: 2.82997e+04} - equation: C6H13-3 <=> CH3 + C5H10-1 # Reaction 3537 rate-constant: {A: 8.128e+10, b: 0.78, Ea: 2.9651e+04} - equation: C6H13-1 + O2 <=> C6H12-1 + HO2 # Reaction 3538 rate-constant: {A: 0.837, b: 3.6, Ea: 1.196e+04} - equation: C6H13-2 + O2 <=> C6H12-1 + HO2 # Reaction 3539 rate-constant: {A: 0.535, b: 3.7, Ea: 9322.0} - equation: C6H13-2 + O2 <=> C6H12-2 + HO2 # Reaction 3540 rate-constant: {A: 1.07, b: 3.7, Ea: 9322.0} - equation: C6H13-3 + O2 <=> C6H12-2 + HO2 # Reaction 3541 rate-constant: {A: 1.07, b: 3.7, Ea: 9322.0} - equation: C6H13-3 + O2 <=> C6H12-3 + HO2 # Reaction 3542 rate-constant: {A: 1.07, b: 3.7, Ea: 9322.0} - equation: C6H13-2 <=> C6H13-3 # Reaction 3543 rate-constant: {A: 2.75e+10, b: 0.7, Ea: 4.18723e+04} - equation: C6H13-1 <=> C6H13-2 # Reaction 3544 rate-constant: {A: 182.0, b: 2.55, Ea: 1.09614e+04} - equation: C6H13-1 <=> C6H13-3 # Reaction 3545 rate-constant: {A: 6.918, b: 3.2, Ea: 1.65593e+04} - equation: C6H13-1 + O2 <=> C6H13O2-1 # Reaction 3546 rate-constant: {A: 6.863e+16, b: -1.627, Ea: 198.7} - equation: C6H13-2 + O2 <=> C6H13O2-2 # Reaction 3547 rate-constant: {A: 3.486e+14, b: -0.816, Ea: -536.5} - equation: C6H13-3 + O2 <=> C6H13O2-3 # Reaction 3548 rate-constant: {A: 3.486e+14, b: -0.816, Ea: -536.5} - equation: C6H13-1 + HO2 <=> C6H13O-1 + OH # Reaction 3549 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-2 + HO2 <=> C6H13O-2 + OH # Reaction 3550 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-3 + HO2 <=> C6H13O-3 + OH # Reaction 3551 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-1 + CH3O2 <=> C6H13O-1 + CH3O # Reaction 3552 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-2 + CH3O2 <=> C6H13O-2 + CH3O # Reaction 3553 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-3 + CH3O2 <=> C6H13O-3 + CH3O # Reaction 3554 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-1 + C6H13O2-1 <=> C6H13O-1 + C6H13O-1 # Reaction 3555 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-1 + C6H13O2-2 <=> C6H13O-1 + C6H13O-2 # Reaction 3556 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-1 + C6H13O2-3 <=> C6H13O-1 + C6H13O-3 # Reaction 3557 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-2 + C6H13O2-1 <=> C6H13O-2 + C6H13O-1 # Reaction 3558 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-2 + C6H13O2-2 <=> C6H13O-2 + C6H13O-2 # Reaction 3559 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-2 + C6H13O2-3 <=> C6H13O-2 + C6H13O-3 # Reaction 3560 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-3 + C6H13O2-1 <=> C6H13O-3 + C6H13O-1 # Reaction 3561 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-3 + C6H13O2-2 <=> C6H13O-3 + C6H13O-2 # Reaction 3562 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13-3 + C6H13O2-3 <=> C6H13O-3 + C6H13O-3 # Reaction 3563 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13O2-1 <=> C6H12OOH1-2 # Reaction 3564 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C6H13O2-1 <=> C6H12OOH1-3 # Reaction 3565 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C6H13O2-1 <=> C6H12OOH1-4 # Reaction 3566 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H13O2-1 <=> C6H12OOH1-5 # Reaction 3567 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C6H13O2-2 <=> C6H12OOH2-1 # Reaction 3568 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C6H13O2-2 <=> C6H12OOH2-3 # Reaction 3569 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H13O2-2 <=> C6H12OOH2-4 # Reaction 3570 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H13O2-2 <=> C6H12OOH2-5 # Reaction 3571 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H13O2-2 <=> C6H12OOH2-6 # Reaction 3572 rate-constant: {A: 1.471e+05, b: 1.5, Ea: 1.99e+04} - equation: C6H13O2-3 <=> C6H12OOH3-1 # Reaction 3573 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C6H13O2-3 <=> C6H12OOH3-2 # Reaction 3574 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H13O2-3 <=> C6H12OOH3-4 # Reaction 3575 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H13O2-3 <=> C6H12OOH3-5 # Reaction 3576 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H13O2-3 <=> C6H12OOH3-6 # Reaction 3577 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C6H13O2-1 <=> C6H12-1 + HO2 # Reaction 3578 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C6H13O2-2 <=> C6H12-1 + HO2 # Reaction 3579 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C6H13O2-2 <=> C6H12-2 + HO2 # Reaction 3580 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H13O2-3 <=> C6H12-2 + HO2 # Reaction 3581 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H13O2-3 <=> C6H12-3 + HO2 # Reaction 3582 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H13OOH-1 + O2 <=> C6H13O2-1 + HO2 # Reaction 3583 rate-constant: {A: 3.75e+13, b: -0.8, Ea: 3.362e+04} - equation: C6H13OOH-2 + O2 <=> C6H13O2-2 + HO2 # Reaction 3584 rate-constant: {A: 4.38e+13, b: -0.8, Ea: 3.364e+04} - equation: C6H13OOH-3 + O2 <=> C6H13O2-3 + HO2 # Reaction 3585 rate-constant: {A: 4.38e+13, b: -0.8, Ea: 3.364e+04} - equation: C6H13OOH-1 + HO2 <=> C6H13O2-1 + H2O2 # Reaction 3586 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C6H13OOH-2 + HO2 <=> C6H13O2-2 + H2O2 # Reaction 3587 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C6H13OOH-3 + HO2 <=> C6H13O2-3 + H2O2 # Reaction 3588 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C6H13O2-1 + NC6H14 <=> C6H13OOH-1 + C6H13-1 # Reaction 3589 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C6H13O2-1 + NC6H14 <=> C6H13OOH-1 + C6H13-2 # Reaction 3590 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H13O2-1 + NC6H14 <=> C6H13OOH-1 + C6H13-3 # Reaction 3591 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H13O2-2 + NC6H14 <=> C6H13OOH-2 + C6H13-1 # Reaction 3592 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C6H13O2-2 + NC6H14 <=> C6H13OOH-2 + C6H13-2 # Reaction 3593 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H13O2-2 + NC6H14 <=> C6H13OOH-2 + C6H13-3 # Reaction 3594 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H13O2-3 + NC6H14 <=> C6H13OOH-3 + C6H13-1 # Reaction 3595 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C6H13O2-3 + NC6H14 <=> C6H13OOH-3 + C6H13-2 # Reaction 3596 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H13O2-3 + NC6H14 <=> C6H13OOH-3 + C6H13-3 # Reaction 3597 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H13O2-1 + CH3O2 => C6H13O-1 + CH3O + O2 # Reaction 3598 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-2 + CH3O2 => C6H13O-2 + CH3O + O2 # Reaction 3599 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-3 + CH3O2 => C6H13O-3 + CH3O + O2 # Reaction 3600 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-1 + C6H13O2-1 => C6H13O-1 + C6H13O-1 + O2 # Reaction 3601 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-1 + C6H13O2-2 => C6H13O-1 + C6H13O-2 + O2 # Reaction 3602 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-1 + C6H13O2-3 => C6H13O-1 + C6H13O-3 + O2 # Reaction 3603 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-2 + C6H13O2-2 => C6H13O-2 + C6H13O-2 + O2 # Reaction 3604 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-2 + C6H13O2-3 => C6H13O-2 + C6H13O-3 + O2 # Reaction 3605 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13O2-3 + C6H13O2-3 => C6H13O-3 + C6H13O-3 + O2 # Reaction 3606 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C6H13OOH-1 <=> C6H13O-1 + OH # Reaction 3607 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H13OOH-2 <=> C6H13O-2 + OH # Reaction 3608 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H13OOH-3 <=> C6H13O-3 + OH # Reaction 3609 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: CH2O + C5H11-1 <=> C6H13O-1 # Reaction 3610 rate-constant: {A: 6.25e+10, b: 0.0, Ea: 1.19e+04} - equation: CH3CHO + PC4H9 <=> C6H13O-2 # Reaction 3611 rate-constant: {A: 7.5e+10, b: 0.0, Ea: 1.19e+04} - equation: C2H5CHO + NC3H7 <=> C6H13O-3 # Reaction 3612 rate-constant: {A: 8.5e+10, b: 0.0, Ea: 1.19e+04} - equation: C6H12OOH1-2 <=> C6H12O1-2 + OH # Reaction 3613 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3376e+04} - equation: C6H12OOH1-3 <=> C6H12O1-3 + OH # Reaction 3614 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.8292e+04} - equation: C6H12OOH1-4 <=> C6H12O1-4 + OH # Reaction 3615 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1501e+04} - equation: C6H12OOH1-5 <=> C6H12O1-5 + OH # Reaction 3616 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1137e+04} - equation: C6H12OOH2-1 <=> C6H12O1-2 + OH # Reaction 3617 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.5034e+04} - equation: C6H12OOH2-3 <=> C6H12O2-3 + OH # Reaction 3618 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H12OOH2-4 <=> C6H12O2-4 + OH # Reaction 3619 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C6H12OOH2-5 <=> C6H12O2-5 + OH # Reaction 3620 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.149e+04} - equation: C6H12OOH2-6 <=> C6H12O1-5 + OH # Reaction 3621 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1908e+04} - equation: C6H12OOH3-1 <=> C6H12O1-3 + OH # Reaction 3622 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.9006e+04} - equation: C6H12OOH3-2 <=> C6H12O2-3 + OH # Reaction 3623 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H12OOH3-4 <=> C6H12O3-4 + OH # Reaction 3624 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H12OOH3-5 <=> C6H12O2-4 + OH # Reaction 3625 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C6H12OOH3-6 <=> C6H12O1-4 + OH # Reaction 3626 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1573e+04} - equation: C6H12OOH1-2 <=> C6H12-1 + HO2 # Reaction 3627 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C6H12OOH2-1 <=> C6H12-1 + HO2 # Reaction 3628 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C6H12OOH2-3 <=> C6H12-2 + HO2 # Reaction 3629 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H12OOH3-2 <=> C6H12-2 + HO2 # Reaction 3630 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H12OOH3-4 <=> C6H12-3 + HO2 # Reaction 3631 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H12OOH1-3 => CH2O + C5H10-1 + OH # Reaction 3632 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.73465e+04} - equation: C6H12OOH2-4 => CH3CHO + C4H8-1 + OH # Reaction 3633 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.4888e+04} - equation: C6H12OOH3-1 => NC3H7CHO + C2H4 + OH # Reaction 3634 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.46084e+04} - equation: C6H12OOH3-5 => C2H5CHO + C3H6 + OH # Reaction 3635 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.50457e+04} - equation: C6H12OOH1-4 <=> C2H4O2H + C4H8-1 # Reaction 3636 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.80527e+04} - equation: C6H12OOH2-5 <=> C3H6OOH2-1 + C3H6 # Reaction 3637 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.82476e+04} - equation: C6H12OOH3-6 <=> C4H8OOH2-1 + C2H4 # Reaction 3638 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.81238e+04} - equation: C6H12OOH1-2 + O2 <=> C6H12OOH1-2O2 # Reaction 3639 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH1-3 + O2 <=> C6H12OOH1-3O2 # Reaction 3640 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH1-4 + O2 <=> C6H12OOH1-4O2 # Reaction 3641 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH1-5 + O2 <=> C6H12OOH1-5O2 # Reaction 3642 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH2-1 + O2 <=> C6H12OOH2-1O2 # Reaction 3643 rate-constant: {A: 3.43e+16, b: -1.627, Ea: 198.7} - equation: C6H12OOH2-3 + O2 <=> C6H12OOH2-3O2 # Reaction 3644 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH2-4 + O2 <=> C6H12OOH2-4O2 # Reaction 3645 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH2-5 + O2 <=> C6H12OOH2-5O2 # Reaction 3646 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH2-6 + O2 <=> C6H12OOH2-6O2 # Reaction 3647 rate-constant: {A: 3.43e+16, b: -1.627, Ea: 198.7} - equation: C6H12OOH3-1 + O2 <=> C6H12OOH3-1O2 # Reaction 3648 rate-constant: {A: 3.43e+16, b: -1.627, Ea: 198.7} - equation: C6H12OOH3-2 + O2 <=> C6H12OOH3-2O2 # Reaction 3649 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH3-4 + O2 <=> C6H12OOH3-4O2 # Reaction 3650 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH3-5 + O2 <=> C6H12OOH3-5O2 # Reaction 3651 rate-constant: {A: 1.74e+14, b: -0.816, Ea: -536.5} - equation: C6H12OOH3-6 + O2 <=> C6H12OOH3-6O2 # Reaction 3652 rate-constant: {A: 3.43e+16, b: -1.627, Ea: 198.7} - equation: C6H12OOH1-2O2 <=> C6H11-2D1OOH + HO2 # Reaction 3653 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH1-3O2 <=> C6H11-2D1OOH + HO2 # Reaction 3654 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH1-3O2 <=> C6H11-3D1OOH + HO2 # Reaction 3655 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH1-4O2 <=> C6H11-3D1OOH + HO2 # Reaction 3656 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH1-4O2 <=> C6H11-2D6OOH + HO2 # Reaction 3657 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH1-5O2 <=> C6H11-2D6OOH + HO2 # Reaction 3658 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH1-5O2 <=> C6H11-1D6OOH + HO2 # Reaction 3659 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C6H12OOH2-3O2 <=> C6H11-3D2OOH + HO2 # Reaction 3660 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH2-4O2 <=> C6H11-3D2OOH + HO2 # Reaction 3661 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH2-4O2 <=> C6H11-2D5OOH + HO2 # Reaction 3662 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH2-5O2 <=> C6H11-2D5OOH + HO2 # Reaction 3663 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH2-5O2 <=> C6H11-1D5OOH + HO2 # Reaction 3664 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C6H12OOH2-6O2 <=> C6H11-1D5OOH + HO2 # Reaction 3665 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C6H12OOH3-1O2 <=> C6H11-1D3OOH + HO2 # Reaction 3666 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C6H12OOH3-2O2 <=> C6H11-1D3OOH + HO2 # Reaction 3667 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C6H12OOH3-4O2 <=> C6H11-2D4OOH + HO2 # Reaction 3668 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH3-5O2 <=> C6H11-2D4OOH + HO2 # Reaction 3669 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C6H12OOH3-5O2 <=> C6H11-1D4OOH + HO2 # Reaction 3670 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C6H12OOH3-6O2 <=> C6H11-1D4OOH + HO2 # Reaction 3671 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C6H12OOH1-2O2 <=> C6H11Q12-3 # Reaction 3672 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH1-2O2 <=> C6H11Q12-4 # Reaction 3673 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H12OOH1-2O2 <=> C6H11Q12-5 # Reaction 3674 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH1-2O2 <=> C6H11Q12-6 # Reaction 3675 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C6H12OOH1-3O2 <=> C6H11Q13-2 # Reaction 3676 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH1-3O2 <=> C6H11Q13-4 # Reaction 3677 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH1-3O2 <=> C6H11Q13-5 # Reaction 3678 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H12OOH1-3O2 <=> C6H11Q13-6 # Reaction 3679 rate-constant: {A: 6.166e+05, b: 1.5, Ea: 2.0e+04} - equation: C6H12OOH1-4O2 <=> C6H11Q14-2 # Reaction 3680 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H12OOH1-4O2 <=> C6H11Q14-3 # Reaction 3681 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH1-4O2 <=> C6H11Q14-5 # Reaction 3682 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH1-4O2 <=> C6H11Q14-6 # Reaction 3683 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C6H12OOH1-5O2 <=> C6H11Q15-2 # Reaction 3684 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH1-5O2 <=> C6H11Q15-3 # Reaction 3685 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H12OOH1-5O2 <=> C6H11Q15-4 # Reaction 3686 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH1-5O2 <=> C6H11Q15-6 # Reaction 3687 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C6H12OOH2-1O2 <=> C6H11Q12-3 # Reaction 3688 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C6H12OOH2-1O2 <=> C6H11Q12-4 # Reaction 3689 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH2-1O2 <=> C6H11Q12-5 # Reaction 3690 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C6H12OOH2-3O2 <=> C6H11Q23-1 # Reaction 3691 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C6H12OOH2-3O2 <=> C6H11Q23-4 # Reaction 3692 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH2-3O2 <=> C6H11Q23-5 # Reaction 3693 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H12OOH2-3O2 <=> C6H11Q23-6 # Reaction 3694 rate-constant: {A: 6.166e+05, b: 1.5, Ea: 2.0e+04} - equation: C6H12OOH2-4O2 <=> C6H11Q24-1 # Reaction 3695 rate-constant: {A: 6.166e+05, b: 1.5, Ea: 2.0e+04} - equation: C6H12OOH2-4O2 <=> C6H11Q24-3 # Reaction 3696 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH2-4O2 <=> C6H11Q24-5 # Reaction 3697 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH2-4O2 <=> C6H11Q24-6 # Reaction 3698 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C6H12OOH2-5O2 <=> C6H11Q25-1 # Reaction 3699 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} duplicate: true - equation: C6H12OOH2-5O2 <=> C6H11Q25-3 # Reaction 3700 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} duplicate: true - equation: C6H12OOH2-5O2 <=> C6H11Q25-3 # Reaction 3701 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} duplicate: true - equation: C6H12OOH2-5O2 <=> C6H11Q25-1 # Reaction 3702 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} duplicate: true - equation: C6H12OOH2-6O2 <=> C6H11Q15-4 # Reaction 3703 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH2-6O2 <=> C6H11Q15-3 # Reaction 3704 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C6H12OOH2-6O2 <=> C6H11Q15-2 # Reaction 3705 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C6H12OOH3-1O2 <=> C6H11Q13-2 # Reaction 3706 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C6H12OOH3-1O2 <=> C6H11Q13-4 # Reaction 3707 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH3-1O2 <=> C6H11Q13-5 # Reaction 3708 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C6H12OOH3-2O2 <=> C6H11Q23-1 # Reaction 3709 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C6H12OOH3-2O2 <=> C6H11Q23-4 # Reaction 3710 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C6H12OOH3-2O2 <=> C6H11Q23-5 # Reaction 3711 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH3-2O2 <=> C6H11Q23-6 # Reaction 3712 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C6H12OOH3-4O2 <=> C6H11Q34-1 # Reaction 3713 rate-constant: {A: 6.166e+05, b: 1.5, Ea: 2.0e+04} duplicate: true - equation: C6H12OOH3-4O2 <=> C6H11Q34-2 # Reaction 3714 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} duplicate: true - equation: C6H12OOH3-4O2 <=> C6H11Q34-2 # Reaction 3715 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} duplicate: true - equation: C6H12OOH3-4O2 <=> C6H11Q34-1 # Reaction 3716 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} duplicate: true - equation: C6H12OOH3-5O2 <=> C6H11Q24-6 # Reaction 3717 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C6H12OOH3-5O2 <=> C6H11Q24-5 # Reaction 3718 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C6H12OOH3-5O2 <=> C6H11Q24-3 # Reaction 3719 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C6H12OOH3-5O2 <=> C6H11Q24-1 # Reaction 3720 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C6H12OOH3-6O2 <=> C6H11Q14-5 # Reaction 3721 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C6H12OOH3-6O2 <=> C6H11Q14-3 # Reaction 3722 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C6H12OOH3-6O2 <=> C6H11Q14-2 # Reaction 3723 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C6H12OOH1-2O2 <=> C6KET12 + OH # Reaction 3724 rate-constant: {A: 2.44e+07, b: 1.6, Ea: 2.79e+04} - equation: C6H12OOH1-3O2 <=> C6KET13 + OH # Reaction 3725 rate-constant: {A: 1.1e+04, b: 2.4, Ea: 1.99e+04} - equation: C6H12OOH1-4O2 <=> C6KET14 + OH # Reaction 3726 rate-constant: {A: 1260.0, b: 2.2, Ea: 1.74e+04} - equation: C6H12OOH1-5O2 <=> C6KET15 + OH # Reaction 3727 rate-constant: {A: 1110.0, b: 1.8, Ea: 1.66e+04} - equation: C6H12OOH2-1O2 <=> C6KET21 + OH # Reaction 3728 rate-constant: {A: 2.76e+08, b: 1.2, Ea: 2.57e+04} - equation: C6H12OOH2-3O2 <=> C6KET23 + OH # Reaction 3729 rate-constant: {A: 1.75e+08, b: 1.7, Ea: 2.6e+04} - equation: C6H12OOH2-4O2 <=> C6KET24 + OH # Reaction 3730 rate-constant: {A: 175.0, b: 3.1, Ea: 1.75e+04} - equation: C6H12OOH2-5O2 <=> C6KET25 + OH # Reaction 3731 rate-constant: {A: 254.0, b: 2.6, Ea: 1.62e+04} - equation: C6H12OOH2-6O2 <=> C6KET26 + OH # Reaction 3732 rate-constant: {A: 2000.0, b: 1.9, Ea: 1.49e+04} - equation: C6H12OOH3-1O2 <=> C6KET31 + OH # Reaction 3733 rate-constant: {A: 57.9, b: 2.9, Ea: 1.7e+04} - equation: C6H12OOH3-2O2 <=> C6KET32 + OH # Reaction 3734 rate-constant: {A: 1.75e+08, b: 1.7, Ea: 2.6e+04} - equation: C6H12OOH3-4O2 <=> C6KET34 + OH # Reaction 3735 rate-constant: {A: 1.75e+08, b: 1.7, Ea: 2.6e+04} - equation: C6H12OOH3-5O2 <=> C6KET35 + OH # Reaction 3736 rate-constant: {A: 175.0, b: 3.1, Ea: 1.75e+04} - equation: C6H12OOH3-6O2 <=> C6KET36 + OH # Reaction 3737 rate-constant: {A: 377.0, b: 2.2, Ea: 1.53e+04} - equation: C6H11Q12-3 => PC4H8CHO-1 + CH2O + 2 OH # Reaction 3738 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 3.38714e+04} - equation: C6H11Q12-4 => C4H8-1 + HO2CH2CHO + OH # Reaction 3739 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2316.3} - equation: C6H11Q12-5 <=> C3H51-2,3OOH + C3H6 # Reaction 3740 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.58666e+04} - equation: C6H11Q13-5 => C3KET13 + C3H6 + OH # Reaction 3741 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.41861e+04} - equation: C6H11Q14-6 => NC4KET14 + C2H4 + OH # Reaction 3742 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.46084e+04} - equation: C6H11Q15-3 => C4H71-4OOH + CH3CHO + OH # Reaction 3743 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.46389e+04} - equation: C6H11Q15-3 => C5H91-4OOH + CH2O + OH # Reaction 3744 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.72829e+04} - equation: C6H11Q23-5 => C3KET12 + C3H6 + OH # Reaction 3745 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.39422e+04} - equation: C6H11Q24-6 => NC4KET13 + C2H4 + OH # Reaction 3746 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.46084e+04} - equation: C6H11Q34-1 => NC4KET12 + C2H4 + OH # Reaction 3747 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.63629e+04} - equation: C6KET12 <=> C6KET12O + OH # Reaction 3748 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET13 <=> C6KET13O + OH # Reaction 3749 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET14 <=> C6KET14O + OH # Reaction 3750 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET15 <=> C6KET15O + OH # Reaction 3751 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET21 <=> C6KET21O + OH # Reaction 3752 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C6KET23 <=> C6KET23O + OH # Reaction 3753 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET24 <=> C6KET24O + OH # Reaction 3754 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET25 <=> C6KET25O + OH # Reaction 3755 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET26 <=> C6KET26O + OH # Reaction 3756 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C6KET31 <=> C6KET31O + OH # Reaction 3757 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C6KET32 <=> C6KET32O + OH # Reaction 3758 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET34 <=> C6KET34O + OH # Reaction 3759 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET35 <=> C6KET35O + OH # Reaction 3760 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C6KET36 <=> C6KET36O + OH # Reaction 3761 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C6KET12O <=> PC4H9CHO + HCO # Reaction 3762 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET13O <=> NC3H7CHO + CH2CHO # Reaction 3763 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET14O <=> C2H5CHO + CH2CH2CHO # Reaction 3764 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET15O <=> CH3CHO + C3H6CHO-1 # Reaction 3765 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET21O <=> CH2O + PC4H9CO # Reaction 3766 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET23O <=> NC3H7CHO + CH3CO # Reaction 3767 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET24O <=> C2H5CHO + CH3COCH2 # Reaction 3768 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET25O <=> CH3CHO + CH2CH2COCH3 # Reaction 3769 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET26O <=> CH2O + CH2CH2CH2COCH3 # Reaction 3770 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET31O <=> CH2O + NC3H7COCH2 # Reaction 3771 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET32O <=> CH3CHO + NC3H7CO # Reaction 3772 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET34O <=> C2H5CHO + C2H5CO # Reaction 3773 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET35O <=> CH3CHO + C2H5COCH2 # Reaction 3774 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6KET36O <=> CH2O + CH2CH2COC2H5 # Reaction 3775 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H11Q12-3 <=> C6H11-2D1OOH + HO2 # Reaction 3776 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H11Q13-2 <=> C6H11-1D3OOH + HO2 # Reaction 3777 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C6H11Q13-2 <=> C6H11-2D1OOH + HO2 # Reaction 3778 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H11Q13-4 <=> C6H11-3D1OOH + HO2 # Reaction 3779 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H11Q14-2 <=> C6H11-1D4OOH + HO2 # Reaction 3780 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C6H11Q14-3 <=> C6H11-3D1OOH + HO2 # Reaction 3781 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H11Q14-5 <=> C6H11-2D6OOH + HO2 # Reaction 3782 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H11Q15-2 <=> C6H11-1D5OOH + HO2 # Reaction 3783 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C6H11Q15-4 <=> C6H11-2D6OOH + HO2 # Reaction 3784 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H11Q15-6 <=> C6H11-1D6OOH + HO2 # Reaction 3785 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C6H11Q23-1 <=> C6H11-1D3OOH + HO2 # Reaction 3786 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C6H11Q23-4 <=> C6H11-3D2OOH + HO2 # Reaction 3787 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H11Q24-1 <=> C6H11-1D4OOH + HO2 # Reaction 3788 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C6H11Q24-3 <=> C6H11-2D4OOH + HO2 # Reaction 3789 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H11Q24-3 <=> C6H11-3D2OOH + HO2 # Reaction 3790 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H11Q24-5 <=> C6H11-2D5OOH + HO2 # Reaction 3791 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H11Q25-1 <=> C6H11-1D5OOH + HO2 # Reaction 3792 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C6H11Q25-3 <=> C6H11-2D5OOH + HO2 # Reaction 3793 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C6H11Q34-2 <=> C6H11-2D4OOH + HO2 # Reaction 3794 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C6H11-1D3OOH => C2H3CHO + NC3H7 + OH # Reaction 3795 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-1D4OOH => AC3H5CHO + C2H5 + OH # Reaction 3796 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-1D4OOH => C3H5-A + C2H5CHO + OH # Reaction 3797 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-1D5OOH => C4H71-4 + CH3CHO + OH # Reaction 3798 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-1D6OOH => C5H91-5 + CH2O + OH # Reaction 3799 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11-2D1OOH => C5H91-1 + CH2O + OH # Reaction 3800 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-2D4OOH => SC3H5CHO + C2H5 + OH # Reaction 3801 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-2D4OOH => C3H5-S + C2H5CHO + OH # Reaction 3802 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11-2D6OOH => C5H92-5 + CH2O + OH # Reaction 3803 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11-3D1OOH => C5H91-3 + CH2O + OH # Reaction 3804 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11-3D2OOH => CH3CHO + C4H71-1 + OH # Reaction 3805 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C2H2 + NC3H7 <=> C5H91-1 # Reaction 3806 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 7800.0} - equation: C6H11Q12-3 <=> C6H11O13-2OOH + OH # Reaction 3807 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.8003e+04} - equation: C6H11Q12-3 <=> C6H11O23-1OOH + OH # Reaction 3808 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q12-4 <=> C6H11O14-2OOH + OH # Reaction 3809 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1501e+04} - equation: C6H11Q12-4 <=> C6H11O24-1OOH + OH # Reaction 3810 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C6H11Q12-5 <=> C6H11O15-2OOH + OH # Reaction 3811 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1137e+04} - equation: C6H11Q12-5 <=> C6H11O25-1OOH + OH # Reaction 3812 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.149e+04} - equation: C6H11Q12-6 <=> C6H11O15-6OOH + OH # Reaction 3813 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1908e+04} - equation: C6H11Q13-2 <=> C6H11O12-3OOH + OH # Reaction 3814 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3376e+04} - equation: C6H11Q13-2 <=> C6H11O23-1OOH + OH # Reaction 3815 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q13-4 <=> C6H11O14-3OOH + OH # Reaction 3816 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1068e+04} - equation: C6H11Q13-4 <=> C6H11O34-1OOH + OH # Reaction 3817 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q13-5 <=> C6H11O15-3OOH + OH # Reaction 3818 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1137e+04} - equation: C6H11Q13-5 <=> C6H11O24-6OOH + OH # Reaction 3819 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C6H11Q13-6 <=> C6H11O14-6OOH + OH # Reaction 3820 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1573e+04} - equation: C6H11Q14-2 <=> C6H11O12-4OOH + OH # Reaction 3821 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3376e+04} - equation: C6H11Q14-2 <=> C6H11O24-1OOH + OH # Reaction 3822 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.6995e+04} - equation: C6H11Q14-3 <=> C6H11O13-4OOH + OH # Reaction 3823 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.8003e+04} - equation: C6H11Q14-3 <=> C6H11O34-1OOH + OH # Reaction 3824 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q14-5 <=> C6H11O15-4OOH + OH # Reaction 3825 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.0825e+04} - equation: C6H11Q14-5 <=> C6H11O23-6OOH + OH # Reaction 3826 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q14-6 <=> C6H11O13-6OOH + OH # Reaction 3827 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.9006e+04} - equation: C6H11Q15-2 <=> C6H11O12-5OOH + OH # Reaction 3828 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3376e+04} - equation: C6H11Q15-2 <=> C6H11O25-1OOH + OH # Reaction 3829 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1056e+04} - equation: C6H11Q15-3 <=> C6H11O13-5OOH + OH # Reaction 3830 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.8292e+04} - equation: C6H11Q15-3 <=> C6H11O24-6OOH + OH # Reaction 3831 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C6H11Q15-4 <=> C6H11O14-5OOH + OH # Reaction 3832 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1068e+04} - equation: C6H11Q15-4 <=> C6H11O23-6OOH + OH # Reaction 3833 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q15-6 <=> C6H11O12-6OOH + OH # Reaction 3834 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.5034e+04} - equation: C6H11Q23-1 <=> C6H11O12-3OOH + OH # Reaction 3835 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.5034e+04} - equation: C6H11Q23-1 <=> C6H11O13-2OOH + OH # Reaction 3836 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.9044e+04} - equation: C6H11Q23-4 <=> C6H11O24-3OOH + OH # Reaction 3837 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.6995e+04} - equation: C6H11Q23-4 <=> C6H11O34-2OOH + OH # Reaction 3838 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q23-5 <=> C6H11O25-3OOH + OH # Reaction 3839 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.149e+04} - equation: C6H11Q23-5 <=> C6H11O24-5OOH + OH # Reaction 3840 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C6H11Q23-6 <=> C6H11O15-4OOH + OH # Reaction 3841 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1908e+04} - equation: C6H11Q23-6 <=> C6H11O14-5OOH + OH # Reaction 3842 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1573e+04} - equation: C6H11Q24-1 <=> C6H11O12-4OOH + OH # Reaction 3843 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.5034e+04} - equation: C6H11Q24-1 <=> C6H11O14-2OOH + OH # Reaction 3844 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.263e+04} - equation: C6H11Q24-3 <=> C6H11O23-4OOH + OH # Reaction 3845 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q24-3 <=> C6H11O34-2OOH + OH # Reaction 3846 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q24-5 <=> C6H11O25-3OOH + OH # Reaction 3847 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1056e+04} - equation: C6H11Q24-5 <=> C6H11O23-5OOH + OH # Reaction 3848 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q24-6 <=> C6H11O15-3OOH + OH # Reaction 3849 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1908e+04} - equation: C6H11Q24-6 <=> C6H11O13-5OOH + OH # Reaction 3850 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.9006e+04} - equation: C6H11Q25-1 <=> C6H11O12-5OOH + OH # Reaction 3851 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.5034e+04} - equation: C6H11Q25-1 <=> C6H11O15-2OOH + OH # Reaction 3852 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1949e+04} - equation: C6H11Q25-3 <=> C6H11O23-5OOH + OH # Reaction 3853 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q25-3 <=> C6H11O24-5OOH + OH # Reaction 3854 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.6995e+04} - equation: C6H11Q34-1 <=> C6H11O13-4OOH + OH # Reaction 3855 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.9006e+04} - equation: C6H11Q34-1 <=> C6H11O14-3OOH + OH # Reaction 3856 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1573e+04} - equation: C6H11Q34-2 <=> C6H11O23-4OOH + OH # Reaction 3857 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C6H11Q34-2 <=> C6H11O24-3OOH + OH # Reaction 3858 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.6995e+04} - equation: C6H11O12-3OOH => CH2CHO + NC3H7CHO + OH # Reaction 3859 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O12-4OOH => C3H5O + C2H5CHO + OH # Reaction 3860 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O12-5OOH => C4H7O12-4 + CH3CHO + OH # Reaction 3861 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O12-6OOH => C5H9O12-5 + CH2O + OH # Reaction 3862 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O13-2OOH => CH2CHO + NC3H7CHO + OH # Reaction 3863 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O13-4OOH => CH2CH2CHO + C2H5CHO + OH # Reaction 3864 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O13-5OOH => C4H7O13-4 + CH3CHO + OH # Reaction 3865 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O13-6OOH => C5H9O13-5 + CH2O + OH # Reaction 3866 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O14-2OOH => CH2O + PC4H8CHO-2 + OH # Reaction 3867 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O14-3OOH => CH2CH2CHO + C2H5CHO + OH # Reaction 3868 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O14-5OOH => C3H6CHO-1 + CH3CHO + OH # Reaction 3869 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O14-6OOH => C5H9O14-5 + CH2O + OH # Reaction 3870 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O15-2OOH => CH2O + PC4H8CHO-3 + OH # Reaction 3871 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O15-3OOH => C3H6 + CH2CHO + CH2O + OH # Reaction 3872 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O15-4OOH => C3H6CHO-1 + CH3CHO + OH # Reaction 3873 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O15-6OOH => PC4H8CHO-4 + CH2O + OH # Reaction 3874 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O23-1OOH => CH2O + PC4H8CHO-1 + OH # Reaction 3875 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O23-4OOH => CH3CHCHO + C2H5CHO + OH # Reaction 3876 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O23-5OOH => C4H7O23-1 + CH3CHO + OH # Reaction 3877 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O23-6OOH => C5H9O23-5 + CH2O + OH # Reaction 3878 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O24-1OOH => CH2O + PC4H8CHO-2 + OH # Reaction 3879 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O24-3OOH => CH3CHCHO + C2H5CHO + OH # Reaction 3880 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O24-5OOH => C3H6CHO-2 + CH3CHO + OH # Reaction 3881 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O24-6OOH => C5H9O24-1 + CH2O + OH # Reaction 3882 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O25-1OOH => CH2O + PC4H8CHO-3 + OH # Reaction 3883 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O25-3OOH => CH3CHO + C3H6CHO-2 + OH # Reaction 3884 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H11O34-1OOH => CH2O + C5H9O23-1 + OH # Reaction 3885 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C6H11O34-2OOH => CH3CHO + C3H6CHO-3 + OH # Reaction 3886 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C6H12O1-2 + OH => CH2CO + PC4H9 + H2O # Reaction 3887 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-2 + OH => C2H3CHO + NC3H7 + H2O # Reaction 3888 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-3 + OH => C2H4 + NC3H7CO + H2O # Reaction 3889 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-3 + OH => HCO + C5H10-1 + H2O # Reaction 3890 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-4 + OH => C2H4 + C2H5COCH2 + H2O # Reaction 3891 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-4 + OH => CH2CHO + C4H8-1 + H2O # Reaction 3892 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-5 + OH => C2H4 + CH2CH2COCH3 + H2O # Reaction 3893 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-5 + OH => CH2CH2CHO + C3H6 + H2O # Reaction 3894 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O2-3 + OH => C2H3COCH3 + C2H5 + H2O # Reaction 3895 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O2-3 + OH => CH3CHCO + NC3H7 + H2O # Reaction 3896 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O2-4 + OH => C4H8-1 + CH3CO + H2O # Reaction 3897 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O2-4 + OH => C2H5CO + C3H6 + H2O # Reaction 3898 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C6H12O2-5 + OH => C3H6 + CH3COCH2 + H2O # Reaction 3899 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12O3-4 + OH => C2H5 + C2H5CHCO + H2O # Reaction 3900 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12O1-2 + HO2 => CH2CO + PC4H9 + H2O2 # Reaction 3901 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-2 + HO2 => C2H3CHO + NC3H7 + H2O2 # Reaction 3902 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-3 + HO2 => C2H4 + NC3H7CO + H2O2 # Reaction 3903 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-3 + HO2 => HCO + C5H10-1 + H2O2 # Reaction 3904 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-4 + HO2 => C2H4 + C2H5COCH2 + H2O2 # Reaction 3905 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-4 + HO2 => CH2CHO + C4H8-1 + H2O2 # Reaction 3906 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-5 + HO2 => C2H4 + CH2CH2COCH3 + H2O2 # Reaction 3907 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O1-5 + HO2 => CH2CH2CHO + C3H6 + H2O2 # Reaction 3908 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O2-3 + HO2 => C2H3COCH3 + C2H5 + H2O2 # Reaction 3909 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O2-3 + HO2 => CH3CHCO + NC3H7 + H2O2 # Reaction 3910 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O2-4 + HO2 => C4H8-1 + CH3CO + H2O2 # Reaction 3911 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O2-4 + HO2 => C2H5CO + C3H6 + H2O2 # Reaction 3912 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C6H12O2-5 + HO2 => C3H6 + CH3COCH2 + H2O2 # Reaction 3913 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.77e+04} - equation: C6H12O3-4 + HO2 => C2H5 + C2H5CHCO + H2O2 # Reaction 3914 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.77e+04} - equation: C6KET13 => HOCHO + NC3H7COCH3 # Reaction 3915 rate-constant: {A: 1.7e+05, b: 1.13, Ea: 2.61e+04} - equation: C6KET13 => CH3COOH + NC3H7CHO # Reaction 3916 rate-constant: {A: 5.1e+05, b: 1.13, Ea: 2.61e+04} - equation: C6KET24 => CH3COOH + C2H5COCH3 # Reaction 3917 rate-constant: {A: 1.7e+05, b: 1.13, Ea: 2.61e+04} - equation: C6KET35 => C2H5COOH + CH3COCH3 # Reaction 3918 rate-constant: {A: 3.4e+05, b: 1.13, Ea: 2.61e+04} - equation: CH3COOH <=> CH4 + CO2 # Reaction 3919 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 7.0e+04} - equation: CH3COOH <=> H2O + CH2CO # Reaction 3920 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 6.5e+04} - equation: CH3COOH => CO + OH + CH3 # Reaction 3921 rate-constant: {A: 7.5e+15, b: 0.0, Ea: 9.16e+04} - equation: CH3COOH => CH3 + CO2 + H # Reaction 3922 rate-constant: {A: 2.5e+14, b: 0.0, Ea: 8.8e+04} - equation: C2H5COOH => C2H6 + CO2 # Reaction 3923 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 7.0e+04} - equation: C2H5COOH => H2O + CH3CHCO # Reaction 3924 rate-constant: {A: 1.4e+12, b: 0.0, Ea: 6.5e+04} - equation: C2H5COOH => CO + OH + C2H5 # Reaction 3925 rate-constant: {A: 7.5e+15, b: 0.0, Ea: 9.16e+04} - equation: C2H5COOH => CO2 + C2H5 + H # Reaction 3926 rate-constant: {A: 2.5e+14, b: 0.0, Ea: 8.8e+04} - equation: C6H13O2-1 + CH3 <=> C6H13O-1 + CH3O # Reaction 3927 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13O2-2 + CH3 <=> C6H13O-2 + CH3O # Reaction 3928 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13O2-3 + CH3 <=> C6H13O-3 + CH3O # Reaction 3929 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13O2-1 + C2H5 <=> C6H13O-1 + C2H5O # Reaction 3930 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13O2-2 + C2H5 <=> C6H13O-2 + C2H5O # Reaction 3931 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H13O2-3 + C2H5 <=> C6H13O-3 + C2H5O # Reaction 3932 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-2O2 + CH3 => CH3O + C6H12OOH1-2O # Reaction 3933 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-3O2 + CH3 => CH3O + C6H12OOH1-3O # Reaction 3934 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-4O2 + CH3 => CH3O + C6H12OOH1-4O # Reaction 3935 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-5O2 + CH3 => CH3O + C6H12OOH1-5O # Reaction 3936 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-1O2 + CH3 => CH3O + C6H12OOH2-1O # Reaction 3937 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-3O2 + CH3 => CH3O + C6H12OOH2-3O # Reaction 3938 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-4O2 + CH3 => CH3O + C6H12OOH2-4O # Reaction 3939 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-5O2 + CH3 => CH3O + C6H12OOH2-5O # Reaction 3940 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-6O2 + CH3 => CH3O + C6H12OOH2-6O # Reaction 3941 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-1O2 + CH3 => CH3O + C6H12OOH3-1O # Reaction 3942 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-2O2 + CH3 => CH3O + C6H12OOH3-2O # Reaction 3943 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-4O2 + CH3 => CH3O + C6H12OOH3-4O # Reaction 3944 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-5O2 + CH3 => CH3O + C6H12OOH3-5O # Reaction 3945 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-6O2 + CH3 => CH3O + C6H12OOH3-6O # Reaction 3946 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-2O => HO2CH2CHO + PC4H9 # Reaction 3947 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-3O => C3KET13 + NC3H7 # Reaction 3948 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-4O => NC4KET14 + C2H5 # Reaction 3949 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-5O => NC5KET15 + CH3 # Reaction 3950 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-1O => CH2O + PC4H9CHO + OH # Reaction 3951 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-3O => C3KET12 + NC3H7 # Reaction 3952 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-4O => NC4KET13 + C2H5 # Reaction 3953 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-5O => NC5KET14 + CH3 # Reaction 3954 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-6O => CH2O + C5H10OOH2-5 # Reaction 3955 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-1O => CH2O + C5H10OOH2-1 # Reaction 3956 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-2O => CH3 + NC5KET12 # Reaction 3957 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-4O => NC4KET12 + C2H5 # Reaction 3958 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-5O => CH3 + NC5KET13 # Reaction 3959 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-6O => CH2O + C5H10OOH3-1 # Reaction 3960 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-2O => CH2O2H + PC4H9CHO # Reaction 3961 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-3O => C2H4O2H + NC3H7CHO # Reaction 3962 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-4O => C3H6OOH1-3 + C2H5CHO # Reaction 3963 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-5O => C4H8OOH1-4 + CH3CHO # Reaction 3964 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-3O => CH3CHO + NC3H7CHO + OH # Reaction 3965 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-4O => C3H6OOH2-1 + C2H5CHO # Reaction 3966 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH2-5O => C4H8OOH2-4 + CH3CHO # Reaction 3967 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-2O => CH3CHO + NC3H7CHO + OH # Reaction 3968 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-4O => C2H5CHO + C2H5CHO + OH # Reaction 3969 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH3-5O => C4H8OOH2-1 + CH3CHO # Reaction 3970 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H12OOH1-2O2 + C6H13-1 => C6H13O-1 + C6H12OOH1-2O # Reaction 3971 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-3O2 + C6H13-1 => C6H13O-1 + C6H12OOH1-3O # Reaction 3972 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-4O2 + C6H13-1 => C6H13O-1 + C6H12OOH1-4O # Reaction 3973 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-5O2 + C6H13-1 => C6H13O-1 + C6H12OOH1-5O # Reaction 3974 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-1O2 + C6H13-1 => C6H13O-1 + C6H12OOH2-1O # Reaction 3975 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-3O2 + C6H13-1 => C6H13O-1 + C6H12OOH2-3O # Reaction 3976 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-4O2 + C6H13-1 => C6H13O-1 + C6H12OOH2-4O # Reaction 3977 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-5O2 + C6H13-1 => C6H13O-1 + C6H12OOH2-5O # Reaction 3978 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-6O2 + C6H13-1 => C6H13O-1 + C6H12OOH2-6O # Reaction 3979 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-1O2 + C6H13-1 => C6H13O-1 + C6H12OOH3-1O # Reaction 3980 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-2O2 + C6H13-1 => C6H13O-1 + C6H12OOH3-2O # Reaction 3981 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-4O2 + C6H13-1 => C6H13O-1 + C6H12OOH3-4O # Reaction 3982 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-5O2 + C6H13-1 => C6H13O-1 + C6H12OOH3-5O # Reaction 3983 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-6O2 + C6H13-1 => C6H13O-1 + C6H12OOH3-6O # Reaction 3984 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-2O2 + C6H13-2 => C6H13O-2 + C6H12OOH1-2O # Reaction 3985 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-3O2 + C6H13-2 => C6H13O-2 + C6H12OOH1-3O # Reaction 3986 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-4O2 + C6H13-2 => C6H13O-2 + C6H12OOH1-4O # Reaction 3987 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-5O2 + C6H13-2 => C6H13O-2 + C6H12OOH1-5O # Reaction 3988 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-1O2 + C6H13-2 => C6H13O-2 + C6H12OOH2-1O # Reaction 3989 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-3O2 + C6H13-2 => C6H13O-2 + C6H12OOH2-3O # Reaction 3990 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-4O2 + C6H13-2 => C6H13O-2 + C6H12OOH2-4O # Reaction 3991 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-5O2 + C6H13-2 => C6H13O-2 + C6H12OOH2-5O # Reaction 3992 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-6O2 + C6H13-2 => C6H13O-2 + C6H12OOH2-6O # Reaction 3993 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-1O2 + C6H13-2 => C6H13O-2 + C6H12OOH3-1O # Reaction 3994 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-2O2 + C6H13-2 => C6H13O-2 + C6H12OOH3-2O # Reaction 3995 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-4O2 + C6H13-2 => C6H13O-2 + C6H12OOH3-4O # Reaction 3996 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-5O2 + C6H13-2 => C6H13O-2 + C6H12OOH3-5O # Reaction 3997 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-6O2 + C6H13-2 => C6H13O-2 + C6H12OOH3-6O # Reaction 3998 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-2O2 + C6H13-3 => C6H13O-3 + C6H12OOH1-2O # Reaction 3999 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-3O2 + C6H13-3 => C6H13O-3 + C6H12OOH1-3O # Reaction 4000 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-4O2 + C6H13-3 => C6H13O-3 + C6H12OOH1-4O # Reaction 4001 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH1-5O2 + C6H13-3 => C6H13O-3 + C6H12OOH1-5O # Reaction 4002 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-1O2 + C6H13-3 => C6H13O-3 + C6H12OOH2-1O # Reaction 4003 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-3O2 + C6H13-3 => C6H13O-3 + C6H12OOH2-3O # Reaction 4004 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-4O2 + C6H13-3 => C6H13O-3 + C6H12OOH2-4O # Reaction 4005 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-5O2 + C6H13-3 => C6H13O-3 + C6H12OOH2-5O # Reaction 4006 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH2-6O2 + C6H13-3 => C6H13O-3 + C6H12OOH2-6O # Reaction 4007 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-1O2 + C6H13-3 => C6H13O-3 + C6H12OOH3-1O # Reaction 4008 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-2O2 + C6H13-3 => C6H13O-3 + C6H12OOH3-2O # Reaction 4009 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-4O2 + C6H13-3 => C6H13O-3 + C6H12OOH3-4O # Reaction 4010 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-5O2 + C6H13-3 => C6H13O-3 + C6H12OOH3-5O # Reaction 4011 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12OOH3-6O2 + C6H13-3 => C6H13O-3 + C6H12OOH3-6O # Reaction 4012 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C6H12-1 <=> NC3H7 + C3H5-A # Reaction 4013 rate-constant: {A: 3.17e+21, b: -1.62, Ea: 7.533e+04} - equation: C6H12-2 <=> C2H5 + C4H71-3 # Reaction 4014 rate-constant: {A: 3.735e+21, b: -1.74, Ea: 7.571e+04} - equation: C6H12-3 <=> CH3 + C5H91-3 # Reaction 4015 rate-constant: {A: 5.947e+21, b: -1.85, Ea: 7.679e+04} - equation: C6H12-1 + H <=> C6H111-3 + H2 # Reaction 4016 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C6H12-1 + H <=> C6H111-4 + H2 # Reaction 4017 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C6H12-1 + H <=> C6H111-5 + H2 # Reaction 4018 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C6H12-1 + H <=> C6H111-6 + H2 # Reaction 4019 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C6H12-1 + O <=> C6H111-3 + OH # Reaction 4020 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C6H12-1 + O <=> C6H111-4 + OH # Reaction 4021 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C6H12-1 + O <=> C6H111-5 + OH # Reaction 4022 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C6H12-1 + O <=> C6H111-6 + OH # Reaction 4023 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C6H12-1 + OH <=> C6H111-3 + H2O # Reaction 4024 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C6H12-1 + OH <=> C6H111-4 + H2O # Reaction 4025 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C6H12-1 + OH <=> C6H111-5 + H2O # Reaction 4026 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C6H12-1 + OH <=> C6H111-6 + H2O # Reaction 4027 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C6H12-1 + O2 <=> C6H111-3 + HO2 # Reaction 4028 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C6H12-1 + O2 <=> C6H111-4 + HO2 # Reaction 4029 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C6H12-1 + O2 <=> C6H111-5 + HO2 # Reaction 4030 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C6H12-1 + O2 <=> C6H111-6 + HO2 # Reaction 4031 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C6H12-1 + HO2 <=> C6H111-3 + H2O2 # Reaction 4032 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C6H12-1 + HO2 <=> C6H111-4 + H2O2 # Reaction 4033 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-1 + HO2 <=> C6H111-5 + H2O2 # Reaction 4034 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-1 + HO2 <=> C6H111-6 + H2O2 # Reaction 4035 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C6H12-1 + CH3 <=> C6H111-3 + CH4 # Reaction 4036 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C6H12-1 + CH3 <=> C6H111-4 + CH4 # Reaction 4037 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C6H12-1 + CH3 <=> C6H111-5 + CH4 # Reaction 4038 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C6H12-1 + CH3 <=> C6H111-6 + CH4 # Reaction 4039 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C6H12-1 + CH3O <=> C6H111-3 + CH3OH # Reaction 4040 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C6H12-1 + CH3O <=> C6H111-4 + CH3OH # Reaction 4041 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C6H12-1 + CH3O <=> C6H111-5 + CH3OH # Reaction 4042 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C6H12-1 + CH3O <=> C6H111-6 + CH3OH # Reaction 4043 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C6H12-1 + CH3O2 <=> C6H111-3 + CH3O2H # Reaction 4044 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C6H12-1 + CH3O2 <=> C6H111-4 + CH3O2H # Reaction 4045 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-1 + CH3O2 <=> C6H111-5 + CH3O2H # Reaction 4046 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-1 + CH3O2 <=> C6H111-6 + CH3O2H # Reaction 4047 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C6H12-2 + H <=> C6H111-3 + H2 # Reaction 4048 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: C6H12-2 + H <=> C6H112-4 + H2 # Reaction 4049 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C6H12-2 + H <=> C6H112-5 + H2 # Reaction 4050 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C6H12-2 + H <=> C6H112-6 + H2 # Reaction 4051 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C6H12-2 + O <=> C6H111-3 + OH # Reaction 4052 rate-constant: {A: 4.41e+05, b: 2.4, Ea: 3150.0} - equation: C6H12-2 + O <=> C6H112-4 + OH # Reaction 4053 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C6H12-2 + O <=> C6H112-5 + OH # Reaction 4054 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C6H12-2 + O <=> C6H112-6 + OH # Reaction 4055 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C6H12-2 + OH <=> C6H111-3 + H2O # Reaction 4056 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: C6H12-2 + OH <=> C6H112-4 + H2O # Reaction 4057 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C6H12-2 + OH <=> C6H112-5 + H2O # Reaction 4058 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C6H12-2 + OH <=> C6H112-6 + H2O # Reaction 4059 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C6H12-2 + O2 <=> C6H111-3 + HO2 # Reaction 4060 rate-constant: {A: 3.3e+12, b: 0.0, Ea: 3.99e+04} - equation: C6H12-2 + O2 <=> C6H112-4 + HO2 # Reaction 4061 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C6H12-2 + O2 <=> C6H112-5 + HO2 # Reaction 4062 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C6H12-2 + O2 <=> C6H112-6 + HO2 # Reaction 4063 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C6H12-2 + HO2 <=> C6H111-3 + H2O2 # Reaction 4064 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-2 + HO2 <=> C6H112-4 + H2O2 # Reaction 4065 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C6H12-2 + HO2 <=> C6H112-5 + H2O2 # Reaction 4066 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-2 + HO2 <=> C6H112-6 + H2O2 # Reaction 4067 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C6H12-2 + CH3 <=> C6H111-3 + CH4 # Reaction 4068 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: C6H12-2 + CH3 <=> C6H112-4 + CH4 # Reaction 4069 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C6H12-2 + CH3 <=> C6H112-5 + CH4 # Reaction 4070 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C6H12-2 + CH3 <=> C6H112-6 + CH4 # Reaction 4071 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C6H12-2 + CH3O <=> C6H111-3 + CH3OH # Reaction 4072 rate-constant: {A: 90.0, b: 3.0, Ea: 1.199e+04} - equation: C6H12-2 + CH3O <=> C6H112-4 + CH3OH # Reaction 4073 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C6H12-2 + CH3O <=> C6H112-5 + CH3OH # Reaction 4074 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C6H12-2 + CH3O <=> C6H112-6 + CH3OH # Reaction 4075 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C6H12-2 + CH3O2 <=> C6H111-3 + CH3O2H # Reaction 4076 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-2 + CH3O2 <=> C6H112-4 + CH3O2H # Reaction 4077 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C6H12-2 + CH3O2 <=> C6H112-5 + CH3O2H # Reaction 4078 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C6H12-2 + CH3O2 <=> C6H112-6 + CH3O2H # Reaction 4079 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C6H12-3 + H <=> C6H112-4 + H2 # Reaction 4080 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C6H12-3 + H <=> C6H113-1 + H2 # Reaction 4081 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C6H12-3 + O <=> C6H112-4 + OH # Reaction 4082 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C6H12-3 + O <=> C6H113-1 + OH # Reaction 4083 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C6H12-3 + OH <=> C6H112-4 + H2O # Reaction 4084 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C6H12-3 + OH <=> C6H113-1 + H2O # Reaction 4085 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C6H12-3 + O2 <=> C6H112-4 + HO2 # Reaction 4086 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C6H12-3 + O2 <=> C6H113-1 + HO2 # Reaction 4087 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C6H12-3 + HO2 <=> C6H112-4 + H2O2 # Reaction 4088 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C6H12-3 + HO2 <=> C6H113-1 + H2O2 # Reaction 4089 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C6H12-3 + CH3 <=> C6H112-4 + CH4 # Reaction 4090 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C6H12-3 + CH3 <=> C6H113-1 + CH4 # Reaction 4091 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C6H12-3 + CH3O <=> C6H112-4 + CH3OH # Reaction 4092 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C6H12-3 + CH3O <=> C6H113-1 + CH3OH # Reaction 4093 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C6H12-3 + CH3O2 <=> C6H112-4 + CH3O2H # Reaction 4094 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C6H12-3 + CH3O2 <=> C6H113-1 + CH3O2H # Reaction 4095 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C6H12-1 + H <=> C6H13-1 # Reaction 4096 rate-constant: {A: 1.2e+09, b: 1.3, Ea: 1049.2} - equation: C6H12-1 + H <=> C6H13-2 # Reaction 4097 rate-constant: {A: 6.61e+08, b: 1.4, Ea: -677.6} - equation: C6H12-2 + H <=> C6H13-2 # Reaction 4098 rate-constant: {A: 3.89e+08, b: 1.6, Ea: 579.9} - equation: C6H12-2 + H <=> C6H13-3 # Reaction 4099 rate-constant: {A: 3.89e+08, b: 1.6, Ea: 579.9} - equation: C6H12-3 + H <=> C6H13-3 # Reaction 4100 rate-constant: {A: 7.78e+08, b: 1.6, Ea: 579.9} - equation: C6H12-1 + OH <=> C6H12OH-1J2 # Reaction 4101 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C6H12-1 + OH <=> C6H12OH-2J1 # Reaction 4102 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C6H12-2 + OH <=> C6H12OH-2J3 # Reaction 4103 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C6H12-2 + OH <=> C6H12OH-3J2 # Reaction 4104 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C6H12-3 + OH <=> C6H12OH-3J4 # Reaction 4105 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C6H12OH-1J2 + O2 <=> C6H12OH-1O2-2 # Reaction 4106 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12OH-2J1 + O2 <=> C6H12OH-2O2-1 # Reaction 4107 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12OH-2J3 + O2 <=> C6H12OH-2O2-3 # Reaction 4108 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12OH-3J2 + O2 <=> C6H12OH-3O2-2 # Reaction 4109 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12OH-3J4 + O2 <=> C6H12OH-3O2-4 # Reaction 4110 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C6H12OH-1O2-2 => CH2O + PC4H9CHO + OH # Reaction 4111 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C6H12OH-2O2-1 => CH2O + PC4H9CHO + OH # Reaction 4112 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C6H12OH-2O2-3 => CH3CHO + NC3H7CHO + OH # Reaction 4113 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C6H12OH-3O2-2 => CH3CHO + NC3H7CHO + OH # Reaction 4114 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C6H12OH-3O2-4 => C2H5CHO + C2H5CHO + OH # Reaction 4115 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C4H6 + C2H5 <=> C6H111-3 # Reaction 4116 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C3H6 + C3H5-A <=> C6H111-5 # Reaction 4117 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C4H71-4 + C2H4 <=> C6H111-6 # Reaction 4118 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H81-3 + CH3 <=> C6H112-4 # Reaction 4119 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C4H71-3 + C2H4 <=> C6H112-6 # Reaction 4120 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C6H11-1D3O + OH <=> C6H111-3 + HO2 # Reaction 4121 rate-constant: {A: 6.09e+15, b: -1.1, Ea: 1.572e+04} - equation: C6H11-1D4O + OH <=> C6H111-4 + HO2 # Reaction 4122 rate-constant: {A: 6.09e+15, b: -1.1, Ea: 1.572e+04} - equation: C6H11-1D5O + OH <=> C6H111-5 + HO2 # Reaction 4123 rate-constant: {A: 6.09e+15, b: -1.1, Ea: 1.572e+04} - equation: C6H11-1D6O + OH <=> C6H111-6 + HO2 # Reaction 4124 rate-constant: {A: 6.09e+15, b: -1.1, Ea: 1.572e+04} - equation: C6H11-2D4O + OH <=> C6H112-4 + HO2 # Reaction 4125 rate-constant: {A: 7.03e+15, b: -1.2, Ea: 1.589e+04} - equation: C6H11-2D5O + OH <=> C6H112-5 + HO2 # Reaction 4126 rate-constant: {A: 7.03e+15, b: -1.2, Ea: 1.589e+04} - equation: C6H11-2D6O + OH <=> C6H112-6 + HO2 # Reaction 4127 rate-constant: {A: 7.03e+15, b: -1.2, Ea: 1.589e+04} - equation: C6H11-3D1O + OH <=> C6H113-1 + HO2 # Reaction 4128 rate-constant: {A: 7.03e+15, b: -1.2, Ea: 1.589e+04} - equation: C6H11-1D3O + CH3O <=> C6H111-3 + CH3O2 # Reaction 4129 rate-constant: {A: 5.95e+17, b: -1.6, Ea: 2.048e+04} - equation: C6H11-1D4O + CH3O <=> C6H111-4 + CH3O2 # Reaction 4130 rate-constant: {A: 5.95e+17, b: -1.6, Ea: 2.048e+04} - equation: C6H11-1D5O + CH3O <=> C6H111-5 + CH3O2 # Reaction 4131 rate-constant: {A: 5.95e+17, b: -1.6, Ea: 2.048e+04} - equation: C6H11-1D6O + CH3O <=> C6H111-6 + CH3O2 # Reaction 4132 rate-constant: {A: 5.95e+17, b: -1.6, Ea: 2.048e+04} - equation: C6H11-2D4O + CH3O <=> C6H112-4 + CH3O2 # Reaction 4133 rate-constant: {A: 6.86e+17, b: -1.8, Ea: 2.065e+04} - equation: C6H11-2D5O + CH3O <=> C6H112-5 + CH3O2 # Reaction 4134 rate-constant: {A: 6.86e+17, b: -1.8, Ea: 2.065e+04} - equation: C6H11-2D6O + CH3O <=> C6H112-6 + CH3O2 # Reaction 4135 rate-constant: {A: 6.86e+17, b: -1.8, Ea: 2.065e+04} - equation: C6H11-3D1O + CH3O <=> C6H113-1 + CH3O2 # Reaction 4136 rate-constant: {A: 6.86e+17, b: -1.8, Ea: 2.065e+04} - equation: C6H11-1D3O + C2H5O <=> C6H111-3 + C2H5O2 # Reaction 4137 rate-constant: {A: 3.89e+14, b: -0.7, Ea: 1.833e+04} - equation: C6H11-2D1O + C2H5O <=> C6H111-3 + C2H5O2 # Reaction 4138 rate-constant: {A: 3.89e+14, b: -0.7, Ea: 1.833e+04} - equation: C6H11-1D4O + C2H5O <=> C6H111-4 + C2H5O2 # Reaction 4139 rate-constant: {A: 3.89e+14, b: -0.7, Ea: 1.833e+04} - equation: C6H11-1D5O + C2H5O <=> C6H111-5 + C2H5O2 # Reaction 4140 rate-constant: {A: 3.89e+14, b: -0.7, Ea: 1.833e+04} - equation: C6H11-1D6O + C2H5O <=> C6H111-6 + C2H5O2 # Reaction 4141 rate-constant: {A: 3.89e+14, b: -0.7, Ea: 1.833e+04} - equation: C6H11-2D4O + C2H5O <=> C6H112-4 + C2H5O2 # Reaction 4142 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C6H11-3D2O + C2H5O <=> C6H112-4 + C2H5O2 # Reaction 4143 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C6H11-2D5O + C2H5O <=> C6H112-5 + C2H5O2 # Reaction 4144 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C6H11-2D6O + C2H5O <=> C6H112-6 + C2H5O2 # Reaction 4145 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C6H11-3D1O + C2H5O <=> C6H113-1 + C2H5O2 # Reaction 4146 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C6H11-1D3O <=> C2H3CHO + NC3H7 # Reaction 4147 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H11-1D4O <=> C2H5CHO + C3H5-A # Reaction 4148 rate-constant: {A: 3.13e+19, b: -1.9, Ea: 1.067e+04} - equation: C6H11-1D5O <=> CH3CHO + C4H71-4 # Reaction 4149 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H11-1D6O <=> CH2O + C5H91-5 # Reaction 4150 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H11-2D4O <=> SC3H5CHO + C2H5 # Reaction 4151 rate-constant: {A: 3.13e+19, b: -1.9, Ea: 1.067e+04} - equation: C6H11-2D5O <=> CH3CHO + C4H71-3 # Reaction 4152 rate-constant: {A: 3.13e+19, b: -1.9, Ea: 1.067e+04} - equation: C6H11-2D6O <=> CH2O + C5H92-5 # Reaction 4153 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C6H11-3D1O <=> CH2O + C5H91-3 # Reaction 4154 rate-constant: {A: 5.98e+15, b: -1.1, Ea: 9941.0} - equation: NC5H11CHO + O2 <=> NC5H11CO + HO2 # Reaction 4155 rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04} - equation: NC5H11CHO + O <=> NC5H11CO + OH # Reaction 4156 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: NC5H11CHO + H <=> NC5H11CO + H2 # Reaction 4157 rate-constant: {A: 1.31e+05, b: 2.58, Ea: 1220.0} - equation: NC5H11CHO + OH <=> NC5H11CO + H2O # Reaction 4158 rate-constant: {A: 3.37e+12, b: 0.0, Ea: -619.0} - equation: NC5H11CHO + HO2 <=> NC5H11CO + H2O2 # Reaction 4159 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: NC5H11CHO + CH3 <=> NC5H11CO + CH4 # Reaction 4160 rate-constant: {A: 7.08e-04, b: 4.58, Ea: 1966.0} - equation: NC5H11CHO + CH3O2 <=> NC5H11CO + CH3O2H # Reaction 4161 rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.192e+04} - equation: NC5H11CHO + OH <=> NC5H10CHO-1 + H2O # Reaction 4162 rate-constant: {A: 552.0, b: 3.12, Ea: -1176.0} - equation: NC5H11CHO + OH <=> NC5H10CHO-2 + H2O # Reaction 4163 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: NC5H11CHO + OH <=> NC5H10CHO-3 + H2O # Reaction 4164 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: NC5H11CHO + OH <=> NC5H10CHO-4 + H2O # Reaction 4165 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: NC5H11CHO + OH <=> NC5H10CHO-5 + H2O # Reaction 4166 rate-constant: {A: 4.68e+07, b: 1.61, Ea: -35.0} - equation: NC5H11CHO + HO2 <=> NC5H10CHO-1 + H2O2 # Reaction 4167 rate-constant: {A: 3.44e+12, b: 0.05, Ea: 1.788e+04} - equation: NC5H11CHO + HO2 <=> NC5H10CHO-2 + H2O2 # Reaction 4168 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + HO2 <=> NC5H10CHO-3 + H2O2 # Reaction 4169 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + HO2 <=> NC5H10CHO-4 + H2O2 # Reaction 4170 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + HO2 <=> NC5H10CHO-5 + H2O2 # Reaction 4171 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + CH3O2 <=> NC5H10CHO-1 + CH3O2H # Reaction 4172 rate-constant: {A: 3.44e+12, b: 0.05, Ea: 1.788e+04} - equation: NC5H11CHO + CH3O2 <=> NC5H10CHO-2 + CH3O2H # Reaction 4173 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + CH3O2 <=> NC5H10CHO-3 + CH3O2H # Reaction 4174 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + CH3O2 <=> NC5H10CHO-4 + CH3O2H # Reaction 4175 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CHO + CH3O2 <=> NC5H10CHO-5 + CH3O2H # Reaction 4176 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: NC5H11CO <=> C5H11-1 + CO # Reaction 4177 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9600.0} - equation: C2H3CHO + NC3H7 <=> NC5H10CHO-1 # Reaction 4178 rate-constant: {A: 1.23e+11, b: 0.0, Ea: 7800.0} - equation: HCO + C5H10-1 <=> NC5H10CHO-2 # Reaction 4179 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 6000.0} - equation: NC5H10CHO-3 <=> CH2CHO + C4H8-1 # Reaction 4180 rate-constant: {A: 7.4e+11, b: 0.0, Ea: 2.197e+04} - equation: NC5H10CHO-4 <=> CH2CH2CHO + C3H6 # Reaction 4181 rate-constant: {A: 7.4e+11, b: 0.0, Ea: 2.197e+04} - equation: NC5H10CHO-5 <=> C3H6CHO-1 + C2H4 # Reaction 4182 rate-constant: {A: 7.4e+11, b: 0.0, Ea: 2.197e+04} - equation: C6H111-3 + O2 <=> C6H10D13 + HO2 # Reaction 4183 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 5000.0} - equation: C6H112-4 + O2 <=> C6H10D24 + HO2 # Reaction 4184 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 5000.0} - equation: C6H101-5 <=> C3H5-A + C3H5-A # Reaction 4185 type: pressure-dependent-Arrhenius rate-constants: - {P: 1.0 atm, A: 5.07e+47, b: -9.7, Ea: 7.268e+04} - {P: 4.0 atm, A: 4.22e+39, b: -7.3, Ea: 6.939e+04} - {P: 10.0 atm, A: 2.12e+35, b: -6.0, Ea: 6.762e+04} - equation: C6H101-5 + H <=> C6H9-A + H2 # Reaction 4186 rate-constant: {A: 6.752e+05, b: 2.36, Ea: 207.0} - equation: C6H101-5 + O2 <=> C6H9-A + HO2 # Reaction 4187 rate-constant: {A: 4.0e+14, b: 0.0, Ea: 3.889e+04} - equation: C6H101-5 + O <=> C6H9-A + OH # Reaction 4188 rate-constant: {A: 1.32e+06, b: 2.43, Ea: 1210.0} - equation: C6H101-5 + OH <=> C6H9-A + H2O # Reaction 4189 rate-constant: {A: 5.528e+04, b: 2.64, Ea: -1919.0} - equation: C6H101-5 + CH3 <=> C6H9-A + CH4 # Reaction 4190 rate-constant: {A: 7.38, b: 3.31, Ea: 4002.0} - equation: C4H6 + C2H3 <=> C6H9-A # Reaction 4191 rate-constant: {A: 8.8e+05, b: 2.5, Ea: 6130.0} - equation: C6H101-5 + H => C3H4-A + C3H5-A + H2 # Reaction 4192 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0} - equation: C6H101-5 + H <=> C3H5-A + C3H6 # Reaction 4193 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: NC7H16 <=> C6H13-1 + CH3 # Reaction 4194 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 3.21e+84, b: -20.2, Ea: 1.20586e+05} - {P: 0.1 atm, A: 1.98e+69, b: -15.58, Ea: 1.14157e+05} - {P: 1.0 atm, A: 5.48e+51, b: -10.36, Ea: 1.05321e+05} - {P: 2.0 atm, A: 3.58e+46, b: -8.84, Ea: 1.02532e+05} - {P: 5.0 atm, A: 1.36e+40, b: -6.96, Ea: 9.899e+04} - {P: 10.0 atm, A: 5.73e+35, b: -5.68, Ea: 9.6525e+04} - {P: 20.0 atm, A: 8.09e+31, b: -4.56, Ea: 9.4324e+04} - {P: 50.0 atm, A: 5.41e+27, b: -3.35, Ea: 9.1903e+04} - equation: NC7H16 <=> C5H11-1 + C2H5 # Reaction 4195 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.31e+77, b: -18.03, Ea: 1.16934e+05} - {P: 0.1 atm, A: 2.48e+61, b: -13.11, Ea: 1.0949e+05} - {P: 1.0 atm, A: 4.62e+43, b: -7.87, Ea: 1.00282e+05} - {P: 2.0 atm, A: 4.04e+38, b: -6.39, Ea: 9.7509e+04} - {P: 5.0 atm, A: 2.82e+32, b: -4.59, Ea: 9.4062e+04} - {P: 10.0 atm, A: 2.11e+28, b: -3.39, Ea: 9.1711e+04} - {P: 20.0 atm, A: 5.56e+24, b: -2.35, Ea: 8.9645e+04} - {P: 50.0 atm, A: 8.45e+20, b: -1.24, Ea: 8.7414e+04} - equation: NC7H16 <=> PC4H9 + NC3H7 # Reaction 4196 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 8.03e+87, b: -20.87, Ea: 1.20084e+05} - {P: 0.1 atm, A: 3.26e+72, b: -16.19, Ea: 1.13496e+05} - {P: 1.0 atm, A: 8.14e+54, b: -10.97, Ea: 1.04592e+05} - {P: 2.0 atm, A: 5.51e+49, b: -9.45, Ea: 1.01803e+05} - {P: 5.0 atm, A: 2.27e+43, b: -7.58, Ea: 9.8272e+04} - {P: 10.0 atm, A: 1.04e+39, b: -6.31, Ea: 9.5823e+04} - {P: 20.0 atm, A: 1.6e+35, b: -5.2, Ea: 9.364e+04} - {P: 50.0 atm, A: 1.21e+31, b: -4.01, Ea: 9.1246e+04} - equation: NC7H16 <=> C7H15-1 + H # Reaction 4197 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 7.75e+101, b: -26.74, Ea: 1.36707e+05} - {P: 0.1 atm, A: 1.58e+109, b: -28.45, Ea: 1.42837e+05} - {P: 1.0 atm, A: 2.7e+116, b: -30.07, Ea: 1.50954e+05} - {P: 2.0 atm, A: 1.34e+117, b: -30.14, Ea: 1.52681e+05} - {P: 5.0 atm, A: 2.87e+116, b: -29.78, Ea: 1.53956e+05} - {P: 10.0 atm, A: 5.41e+114, b: -29.17, Ea: 1.54079e+05} - {P: 20.0 atm, A: 1.18e+112, b: -28.31, Ea: 1.53502e+05} - {P: 50.0 atm, A: 2.96e+107, b: -26.88, Ea: 1.51838e+05} - equation: NC7H16 <=> C7H15-2 + H # Reaction 4198 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.12e+104, b: -27.26, Ea: 1.34548e+05} - {P: 0.1 atm, A: 1.21e+112, b: -29.16, Ea: 1.41621e+05} - {P: 1.0 atm, A: 1.82e+118, b: -30.48, Ea: 1.49382e+05} - {P: 2.0 atm, A: 2.58e+118, b: -30.39, Ea: 1.50791e+05} - {P: 5.0 atm, A: 1.04e+117, b: -29.83, Ea: 1.51596e+05} - {P: 10.0 atm, A: 6.16e+114, b: -29.08, Ea: 1.51369e+05} - {P: 20.0 atm, A: 5.15e+111, b: -28.11, Ea: 1.50481e+05} - {P: 50.0 atm, A: 5.42e+106, b: -26.58, Ea: 1.48505e+05} - equation: NC7H16 <=> C7H15-3 + H # Reaction 4199 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 1.12e+104, b: -27.26, Ea: 1.34548e+05} - {P: 0.1 atm, A: 1.21e+112, b: -29.16, Ea: 1.41621e+05} - {P: 1.0 atm, A: 1.82e+118, b: -30.48, Ea: 1.49382e+05} - {P: 2.0 atm, A: 2.58e+118, b: -30.39, Ea: 1.50791e+05} - {P: 5.0 atm, A: 1.04e+117, b: -29.83, Ea: 1.51596e+05} - {P: 10.0 atm, A: 6.16e+114, b: -29.08, Ea: 1.51369e+05} - {P: 20.0 atm, A: 5.15e+111, b: -28.11, Ea: 1.50481e+05} - {P: 50.0 atm, A: 5.42e+106, b: -26.58, Ea: 1.48505e+05} - equation: NC7H16 <=> C7H15-4 + H # Reaction 4200 type: pressure-dependent-Arrhenius rate-constants: - {P: 0.01 atm, A: 5.59e+103, b: -27.26, Ea: 1.34548e+05} - {P: 0.1 atm, A: 6.06e+111, b: -29.16, Ea: 1.41621e+05} - {P: 1.0 atm, A: 9.11e+117, b: -30.48, Ea: 1.49382e+05} - {P: 2.0 atm, A: 1.29e+118, b: -30.39, Ea: 1.50791e+05} - {P: 5.0 atm, A: 5.18e+116, b: -29.83, Ea: 1.51596e+05} - {P: 10.0 atm, A: 3.08e+114, b: -29.08, Ea: 1.51369e+05} - {P: 20.0 atm, A: 2.57e+111, b: -28.11, Ea: 1.50481e+05} - {P: 50.0 atm, A: 2.71e+106, b: -26.58, Ea: 1.48505e+05} - equation: NC7H16 + H <=> C7H15-1 + H2 # Reaction 4201 rate-constant: {A: 3.49e+05, b: 2.7, Ea: 6450.0} - equation: NC7H16 + H <=> C7H15-2 + H2 # Reaction 4202 rate-constant: {A: 2.6e+06, b: 2.4, Ea: 4471.0} - equation: NC7H16 + H <=> C7H15-3 + H2 # Reaction 4203 rate-constant: {A: 2.6e+06, b: 2.4, Ea: 4471.0} - equation: NC7H16 + H <=> C7H15-4 + H2 # Reaction 4204 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: NC7H16 + O <=> C7H15-1 + OH # Reaction 4205 rate-constant: {A: 1.13e+14, b: 0.0, Ea: 7850.0} - equation: NC7H16 + O <=> C7H15-2 + OH # Reaction 4206 rate-constant: {A: 5.62e+13, b: 0.0, Ea: 5200.0} - equation: NC7H16 + O <=> C7H15-3 + OH # Reaction 4207 rate-constant: {A: 5.62e+13, b: 0.0, Ea: 5200.0} - equation: NC7H16 + O <=> C7H15-4 + OH # Reaction 4208 rate-constant: {A: 2.81e+13, b: 0.0, Ea: 5200.0} - equation: NC7H16 + OH <=> C7H15-1 + H2O # Reaction 4209 rate-constant: {A: 2.731e+07, b: 1.813, Ea: 868.4} - equation: NC7H16 + OH <=> C7H15-2 + H2O # Reaction 4210 rate-constant: {A: 1.41e+10, b: 0.935, Ea: 504.7} - equation: NC7H16 + OH <=> C7H15-3 + H2O # Reaction 4211 rate-constant: {A: 1.144e+07, b: 1.811, Ea: -1015.5} - equation: NC7H16 + OH <=> C7H15-4 + H2O # Reaction 4212 rate-constant: {A: 5.617e+11, b: 0.32, Ea: 846.5} - equation: NC7H16 + O2 <=> C7H15-1 + HO2 # Reaction 4213 rate-constant: {A: 4.2e+13, b: 0.0, Ea: 5.28e+04} - equation: NC7H16 + O2 <=> C7H15-2 + HO2 # Reaction 4214 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 5.016e+04} - equation: NC7H16 + O2 <=> C7H15-3 + HO2 # Reaction 4215 rate-constant: {A: 2.8e+13, b: 0.0, Ea: 5.016e+04} - equation: NC7H16 + O2 <=> C7H15-4 + HO2 # Reaction 4216 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 5.016e+04} - equation: NC7H16 + HO2 <=> C7H15-1 + H2O2 # Reaction 4217 rate-constant: {A: 40.8, b: 3.6, Ea: 1.716e+04} - equation: NC7H16 + HO2 <=> C7H15-2 + H2O2 # Reaction 4218 rate-constant: {A: 126.0, b: 3.4, Ea: 1.372e+04} - equation: NC7H16 + HO2 <=> C7H15-3 + H2O2 # Reaction 4219 rate-constant: {A: 126.0, b: 3.4, Ea: 1.372e+04} - equation: NC7H16 + HO2 <=> C7H15-4 + H2O2 # Reaction 4220 rate-constant: {A: 63.2, b: 3.4, Ea: 1.372e+04} - equation: NC7H16 + CH3 <=> C7H15-1 + CH4 # Reaction 4221 rate-constant: {A: 0.904, b: 3.6, Ea: 7154.0} - equation: NC7H16 + CH3 <=> C7H15-2 + CH4 # Reaction 4222 rate-constant: {A: 1.68e+05, b: 2.1, Ea: 7574.0} - equation: NC7H16 + CH3 <=> C7H15-3 + CH4 # Reaction 4223 rate-constant: {A: 1.68e+05, b: 2.1, Ea: 7574.0} - equation: NC7H16 + CH3 <=> C7H15-4 + CH4 # Reaction 4224 rate-constant: {A: 8.4e+04, b: 2.1, Ea: 7574.0} - equation: NC7H16 + CH3O <=> C7H15-1 + CH3OH # Reaction 4225 rate-constant: {A: 3.16e+11, b: 0.0, Ea: 7000.0} - equation: NC7H16 + CH3O <=> C7H15-2 + CH3OH # Reaction 4226 rate-constant: {A: 2.19e+11, b: 0.0, Ea: 5000.0} - equation: NC7H16 + CH3O <=> C7H15-3 + CH3OH # Reaction 4227 rate-constant: {A: 2.19e+11, b: 0.0, Ea: 5000.0} - equation: NC7H16 + CH3O <=> C7H15-4 + CH3OH # Reaction 4228 rate-constant: {A: 1.095e+11, b: 0.0, Ea: 5000.0} - equation: NC7H16 + CH3O2 <=> C7H15-1 + CH3O2H # Reaction 4229 rate-constant: {A: 1.39, b: 4.0, Ea: 1.828e+04} - equation: NC7H16 + CH3O2 <=> C7H15-2 + CH3O2H # Reaction 4230 rate-constant: {A: 20.4, b: 3.6, Ea: 1.481e+04} - equation: NC7H16 + CH3O2 <=> C7H15-3 + CH3O2H # Reaction 4231 rate-constant: {A: 20.4, b: 3.6, Ea: 1.481e+04} - equation: NC7H16 + CH3O2 <=> C7H15-4 + CH3O2H # Reaction 4232 rate-constant: {A: 10.2, b: 3.6, Ea: 1.481e+04} - equation: NC7H16 + O2CHO <=> C7H15-1 + HO2CHO # Reaction 4233 rate-constant: {A: 1.39, b: 4.0, Ea: 1.828e+04} - equation: NC7H16 + O2CHO <=> C7H15-2 + HO2CHO # Reaction 4234 rate-constant: {A: 20.4, b: 3.6, Ea: 1.481e+04} - equation: NC7H16 + O2CHO <=> C7H15-3 + HO2CHO # Reaction 4235 rate-constant: {A: 20.4, b: 3.6, Ea: 1.481e+04} - equation: NC7H16 + O2CHO <=> C7H15-4 + HO2CHO # Reaction 4236 rate-constant: {A: 10.2, b: 3.6, Ea: 1.481e+04} - equation: NC7H16 + C2H3 <=> C7H15-1 + C2H4 # Reaction 4237 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.8e+04} - equation: NC7H16 + C2H3 <=> C7H15-2 + C2H4 # Reaction 4238 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC7H16 + C2H3 <=> C7H15-3 + C2H4 # Reaction 4239 rate-constant: {A: 8.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC7H16 + C2H3 <=> C7H15-4 + C2H4 # Reaction 4240 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 1.68e+04} - equation: NC7H16 + C2H5 <=> C7H15-1 + C2H6 # Reaction 4241 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.34e+04} - equation: NC7H16 + C2H5 <=> C7H15-2 + C2H6 # Reaction 4242 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: NC7H16 + C2H5 <=> C7H15-3 + C2H6 # Reaction 4243 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 1.04e+04} - equation: NC7H16 + C2H5 <=> C7H15-4 + C2H6 # Reaction 4244 rate-constant: {A: 5.0e+10, b: 0.0, Ea: 1.04e+04} - equation: C7H15-1 (+ M) <=> C2H4 + C5H11-1 (+ M) # Reaction 4245 type: falloff low-P-rate-constant: {A: 2.8e-44, b: 18.729, Ea: -602.5} high-P-rate-constant: {A: 7.94e+11, b: 0.33, Ea: 2.721e+04} Troe: {A: -14.66, T3: 219.0, T1: 28.0, T2: 5.0e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C7H15-2 (+ M) <=> PC4H9 + C3H6 (+ M) # Reaction 4246 type: falloff low-P-rate-constant: {A: 8.9e-39, b: 16.934, Ea: -602.5} high-P-rate-constant: {A: 5.01e+11, b: 0.56, Ea: 2.80922e+04} Troe: {A: -25.27, T3: 223.0, T1: 28.0, T2: 5.0e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C7H15-3 (+ M) <=> NC3H7 + C4H8-1 (+ M) # Reaction 4247 type: falloff low-P-rate-constant: {A: 2.0e-38, b: 16.814, Ea: -602.4} high-P-rate-constant: {A: 2.95e+12, b: 0.31, Ea: 2.82571e+04} Troe: {A: -20.96, T3: 221.0, T1: 28.0, T2: 5.0e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C7H15-3 (+ M) <=> C6H12-1 + CH3 (+ M) # Reaction 4248 type: falloff low-P-rate-constant: {A: 1.06e-42, b: 18.004, Ea: -602.4} high-P-rate-constant: {A: 1.1e+11, b: 0.75, Ea: 2.94016e+04} Troe: {A: -20.94, T3: 217.0, T1: 28.0, T2: 5.0e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C7H15-4 (+ M) <=> C2H5 + C5H10-1 (+ M) # Reaction 4249 type: falloff low-P-rate-constant: {A: 2.1e-38, b: 16.897, Ea: -602.5} high-P-rate-constant: {A: 5.89e+12, b: 0.31, Ea: 2.82571e+04} Troe: {A: -27.54, T3: 224.0, T1: 28.0, T2: 5.0e+04} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: C7H15-1 + O2 <=> C7H14-1 + HO2 # Reaction 4250 rate-constant: {A: 0.837, b: 3.6, Ea: 1.196e+04} - equation: C7H15-2 + O2 <=> C7H14-1 + HO2 # Reaction 4251 rate-constant: {A: 0.535, b: 3.7, Ea: 9322.0} - equation: C7H15-2 + O2 <=> C7H14-2 + HO2 # Reaction 4252 rate-constant: {A: 1.07, b: 3.7, Ea: 9322.0} - equation: C7H15-3 + O2 <=> C7H14-2 + HO2 # Reaction 4253 rate-constant: {A: 1.07, b: 3.7, Ea: 9322.0} - equation: C7H15-3 + O2 <=> C7H14-3 + HO2 # Reaction 4254 rate-constant: {A: 1.07, b: 3.7, Ea: 9322.0} - equation: C7H15-4 + O2 <=> C7H14-3 + HO2 # Reaction 4255 rate-constant: {A: 2.14, b: 3.7, Ea: 9322.0} - equation: C7H15-1 <=> C7H15-3 # Reaction 4256 rate-constant: {A: 1.386e+09, b: 0.98, Ea: 3.376e+04} - equation: C7H15-1 <=> C7H15-4 # Reaction 4257 rate-constant: {A: 2.541e+09, b: 0.35, Ea: 1.976e+04} - equation: C7H15-2 <=> C7H15-3 # Reaction 4258 rate-constant: {A: 9.587e+08, b: 1.39, Ea: 3.97e+04} - equation: C7H15-1 <=> C7H15-2 # Reaction 4259 rate-constant: {A: 5.478e+08, b: 1.62, Ea: 3.876e+04} - equation: C7H15-1 + O2 <=> C7H15-1O2 # Reaction 4260 rate-constant: {A: 6.863e+16, b: -1.627, Ea: 198.7} - equation: C7H15-2 + O2 <=> C7H15-2O2 # Reaction 4261 rate-constant: {A: 3.486e+14, b: -0.816, Ea: -536.5} - equation: C7H15-3 + O2 <=> C7H15-3O2 # Reaction 4262 rate-constant: {A: 3.486e+14, b: -0.816, Ea: -536.5} - equation: C7H15-4 + O2 <=> C7H15-4O2 # Reaction 4263 rate-constant: {A: 3.486e+14, b: -0.816, Ea: -536.5} - equation: C7H15-1 + HO2 <=> C7H15-1O + OH # Reaction 4264 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2 + HO2 <=> C7H15-2O + OH # Reaction 4265 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3 + HO2 <=> C7H15-3O + OH # Reaction 4266 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4 + HO2 <=> C7H15-4O + OH # Reaction 4267 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1 + CH3O2 <=> C7H15-1O + CH3O # Reaction 4268 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2 + CH3O2 <=> C7H15-2O + CH3O # Reaction 4269 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3 + CH3O2 <=> C7H15-3O + CH3O # Reaction 4270 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4 + CH3O2 <=> C7H15-4O + CH3O # Reaction 4271 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1 + C7H15-1O2 <=> C7H15-1O + C7H15-1O # Reaction 4272 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1 + C7H15-2O2 <=> C7H15-1O + C7H15-2O # Reaction 4273 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1 + C7H15-3O2 <=> C7H15-1O + C7H15-3O # Reaction 4274 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1 + C7H15-4O2 <=> C7H15-1O + C7H15-4O # Reaction 4275 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2 + C7H15-1O2 <=> C7H15-2O + C7H15-1O # Reaction 4276 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2 + C7H15-2O2 <=> C7H15-2O + C7H15-2O # Reaction 4277 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2 + C7H15-3O2 <=> C7H15-2O + C7H15-3O # Reaction 4278 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2 + C7H15-4O2 <=> C7H15-2O + C7H15-4O # Reaction 4279 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3 + C7H15-1O2 <=> C7H15-3O + C7H15-1O # Reaction 4280 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3 + C7H15-2O2 <=> C7H15-3O + C7H15-2O # Reaction 4281 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3 + C7H15-3O2 <=> C7H15-3O + C7H15-3O # Reaction 4282 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3 + C7H15-4O2 <=> C7H15-3O + C7H15-4O # Reaction 4283 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4 + C7H15-1O2 <=> C7H15-4O + C7H15-1O # Reaction 4284 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4 + C7H15-2O2 <=> C7H15-4O + C7H15-2O # Reaction 4285 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4 + C7H15-3O2 <=> C7H15-4O + C7H15-3O # Reaction 4286 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4 + C7H15-4O2 <=> C7H15-4O + C7H15-4O # Reaction 4287 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1O2 + CH3 <=> C7H15-1O + CH3O # Reaction 4288 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2O2 + CH3 <=> C7H15-2O + CH3O # Reaction 4289 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3O2 + CH3 <=> C7H15-3O + CH3O # Reaction 4290 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4O2 + CH3 <=> C7H15-4O + CH3O # Reaction 4291 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1O2 + C2H5 <=> C7H15-1O + C2H5O # Reaction 4292 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-2O2 + C2H5 <=> C7H15-2O + C2H5O # Reaction 4293 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-3O2 + C2H5 <=> C7H15-3O + C2H5O # Reaction 4294 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-4O2 + C2H5 <=> C7H15-4O + C2H5O # Reaction 4295 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H15-1O2 <=> C7H14OOH1-2 # Reaction 4296 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C7H15-1O2 <=> C7H14OOH1-3 # Reaction 4297 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C7H15-1O2 <=> C7H14OOH1-4 # Reaction 4298 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H15-1O2 <=> C7H14OOH1-5 # Reaction 4299 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H15-2O2 <=> C7H14OOH2-1 # Reaction 4300 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C7H15-2O2 <=> C7H14OOH2-3 # Reaction 4301 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H15-2O2 <=> C7H14OOH2-4 # Reaction 4302 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H15-2O2 <=> C7H14OOH2-5 # Reaction 4303 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H15-2O2 <=> C7H14OOH2-6 # Reaction 4304 rate-constant: {A: 1.3e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H15-3O2 <=> C7H14OOH3-1 # Reaction 4305 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C7H15-3O2 <=> C7H14OOH3-2 # Reaction 4306 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H15-3O2 <=> C7H14OOH3-4 # Reaction 4307 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H15-3O2 <=> C7H14OOH3-5 # Reaction 4308 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H15-3O2 <=> C7H14OOH3-6 # Reaction 4309 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H15-3O2 <=> C7H14OOH3-7 # Reaction 4310 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C7H15-4O2 <=> C7H14OOH4-1 # Reaction 4311 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C7H15-4O2 <=> C7H14OOH4-2 # Reaction 4312 rate-constant: {A: 1.407e+11, b: 0.2, Ea: 1.85e+04} - equation: C7H15-4O2 <=> C7H14OOH4-3 # Reaction 4313 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H15-1O2 <=> C7H14-1 + HO2 # Reaction 4314 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C7H15-2O2 <=> C7H14-1 + HO2 # Reaction 4315 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C7H15-2O2 <=> C7H14-2 + HO2 # Reaction 4316 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H15-3O2 <=> C7H14-2 + HO2 # Reaction 4317 rate-constant: {A: 5.14e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H15-3O2 <=> C7H14-3 + HO2 # Reaction 4318 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H15-4O2 <=> C7H14-3 + HO2 # Reaction 4319 rate-constant: {A: 1.08e+11, b: 0.73, Ea: 2.9883e+04} - equation: C7H15OOH-1 + O2 <=> C7H15-1O2 + HO2 # Reaction 4320 rate-constant: {A: 3.75e+13, b: -0.8, Ea: 3.362e+04} - equation: C7H15OOH-2 + O2 <=> C7H15-2O2 + HO2 # Reaction 4321 rate-constant: {A: 4.38e+13, b: -0.8, Ea: 3.364e+04} - equation: C7H15OOH-3 + O2 <=> C7H15-3O2 + HO2 # Reaction 4322 rate-constant: {A: 4.38e+13, b: -0.8, Ea: 3.364e+04} - equation: C7H15OOH-4 + O2 <=> C7H15-4O2 + HO2 # Reaction 4323 rate-constant: {A: 4.38e+13, b: -0.8, Ea: 3.364e+04} - equation: C7H15OOH-1 + HO2 <=> C7H15-1O2 + H2O2 # Reaction 4324 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C7H15OOH-2 + HO2 <=> C7H15-2O2 + H2O2 # Reaction 4325 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C7H15OOH-3 + HO2 <=> C7H15-3O2 + H2O2 # Reaction 4326 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C7H15OOH-4 + HO2 <=> C7H15-4O2 + H2O2 # Reaction 4327 rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1.0e+04} - equation: C7H15-1O2 + NC7H16 <=> C7H15OOH-1 + C7H15-1 # Reaction 4328 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C7H15-1O2 + NC7H16 <=> C7H15OOH-1 + C7H15-2 # Reaction 4329 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-1O2 + NC7H16 <=> C7H15OOH-1 + C7H15-3 # Reaction 4330 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-1O2 + NC7H16 <=> C7H15OOH-1 + C7H15-4 # Reaction 4331 rate-constant: {A: 4.03e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-2O2 + NC7H16 <=> C7H15OOH-2 + C7H15-1 # Reaction 4332 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C7H15-2O2 + NC7H16 <=> C7H15OOH-2 + C7H15-2 # Reaction 4333 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-2O2 + NC7H16 <=> C7H15OOH-2 + C7H15-3 # Reaction 4334 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-2O2 + NC7H16 <=> C7H15OOH-2 + C7H15-4 # Reaction 4335 rate-constant: {A: 4.03e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-3O2 + NC7H16 <=> C7H15OOH-3 + C7H15-1 # Reaction 4336 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C7H15-3O2 + NC7H16 <=> C7H15OOH-3 + C7H15-2 # Reaction 4337 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-3O2 + NC7H16 <=> C7H15OOH-3 + C7H15-3 # Reaction 4338 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-3O2 + NC7H16 <=> C7H15OOH-3 + C7H15-4 # Reaction 4339 rate-constant: {A: 4.03e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-4O2 + NC7H16 <=> C7H15OOH-4 + C7H15-1 # Reaction 4340 rate-constant: {A: 1.21e+13, b: 0.0, Ea: 2.043e+04} - equation: C7H15-4O2 + NC7H16 <=> C7H15OOH-4 + C7H15-2 # Reaction 4341 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-4O2 + NC7H16 <=> C7H15OOH-4 + C7H15-3 # Reaction 4342 rate-constant: {A: 8.06e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-4O2 + NC7H16 <=> C7H15OOH-4 + C7H15-4 # Reaction 4343 rate-constant: {A: 4.03e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H15-1O2 + CH3O2 => C7H15-1O + CH3O + O2 # Reaction 4344 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-2O2 + CH3O2 => C7H15-2O + CH3O + O2 # Reaction 4345 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-3O2 + CH3O2 => C7H15-3O + CH3O + O2 # Reaction 4346 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-4O2 + CH3O2 => C7H15-4O + CH3O + O2 # Reaction 4347 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-1O2 + C7H15-1O2 => C7H15-1O + C7H15-1O + O2 # Reaction 4348 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-1O2 + C7H15-2O2 => C7H15-1O + C7H15-2O + O2 # Reaction 4349 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-1O2 + C7H15-3O2 => C7H15-1O + C7H15-3O + O2 # Reaction 4350 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-1O2 + C7H15-4O2 => C7H15-1O + C7H15-4O + O2 # Reaction 4351 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-2O2 + C7H15-2O2 => C7H15-2O + C7H15-2O + O2 # Reaction 4352 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-2O2 + C7H15-3O2 => C7H15-2O + C7H15-3O + O2 # Reaction 4353 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-2O2 + C7H15-4O2 => C7H15-2O + C7H15-4O + O2 # Reaction 4354 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-3O2 + C7H15-3O2 => C7H15-3O + C7H15-3O + O2 # Reaction 4355 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-3O2 + C7H15-4O2 => C7H15-3O + C7H15-4O + O2 # Reaction 4356 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15-4O2 + C7H15-4O2 => C7H15-4O + C7H15-4O + O2 # Reaction 4357 rate-constant: {A: 1.4e+16, b: -1.6, Ea: 1860.0} - equation: C7H15OOH-1 <=> C7H15-1O + OH # Reaction 4358 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H15OOH-2 <=> C7H15-2O + OH # Reaction 4359 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H15OOH-3 <=> C7H15-3O + OH # Reaction 4360 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H15OOH-4 <=> C7H15-4O + OH # Reaction 4361 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H15-1O => PC4H9 + C2H4 + CH2O # Reaction 4362 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C7H15-2O => CH3CHO + C2H4 + NC3H7 # Reaction 4363 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C7H15-3O => NC3H7 + CH3CO + C2H5 # Reaction 4364 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C7H15-4O => HCO + NC3H7 + NC3H7 # Reaction 4365 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.5e+04} - equation: C7H14OOH1-2 <=> C7H14O1-2 + OH # Reaction 4366 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3376e+04} - equation: C7H14OOH1-3 <=> C7H14O1-3 + OH # Reaction 4367 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.8292e+04} - equation: C7H14OOH1-4 <=> C7H14O1-4 + OH # Reaction 4368 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1501e+04} - equation: C7H14OOH1-5 <=> C7H14O1-5 + OH # Reaction 4369 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1137e+04} - equation: C7H14OOH2-1 <=> C7H14O1-2 + OH # Reaction 4370 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.5034e+04} - equation: C7H14OOH2-3 <=> C7H14O2-3 + OH # Reaction 4371 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C7H14OOH2-4 <=> C7H14O2-4 + OH # Reaction 4372 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C7H14OOH2-5 <=> C7H14O2-5 + OH # Reaction 4373 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.149e+04} - equation: C7H14OOH2-6 <=> C7H14O2-6 + OH # Reaction 4374 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1129e+04} - equation: C7H14OOH3-1 <=> C7H14O1-3 + OH # Reaction 4375 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.9006e+04} - equation: C7H14OOH3-2 <=> C7H14O2-3 + OH # Reaction 4376 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C7H14OOH3-4 <=> C7H14O3-4 + OH # Reaction 4377 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C7H14OOH3-5 <=> C7H14O3-5 + OH # Reaction 4378 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C7H14OOH3-6 <=> C7H14O2-5 + OH # Reaction 4379 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.149e+04} - equation: C7H14OOH3-7 <=> C7H14O1-5 + OH # Reaction 4380 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1908e+04} - equation: C7H14OOH4-1 <=> C7H14O1-4 + OH # Reaction 4381 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.1573e+04} - equation: C7H14OOH4-2 <=> C7H14O2-4 + OH # Reaction 4382 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.7284e+04} - equation: C7H14OOH4-3 <=> C7H14O3-4 + OH # Reaction 4383 rate-constant: {A: 1.78e+12, b: 0.0, Ea: 1.3364e+04} - equation: C7H14OOH1-2 <=> C7H14-1 + HO2 # Reaction 4384 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C7H14OOH2-1 <=> C7H14-1 + HO2 # Reaction 4385 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C7H14OOH2-3 <=> C7H14-2 + HO2 # Reaction 4386 rate-constant: {A: 2.65e+11, b: 0.38, Ea: 1.48e+04} - equation: C7H14OOH3-2 <=> C7H14-2 + HO2 # Reaction 4387 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H14OOH3-4 <=> C7H14-3 + HO2 # Reaction 4388 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H14OOH4-3 <=> C7H14-3 + HO2 # Reaction 4389 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H14OOH1-3 => CH2O + C6H12-1 + OH # Reaction 4390 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.73306e+04} - equation: C7H14OOH1-4 <=> C2H4O2H + C5H10-1 # Reaction 4391 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.80806e+04} - equation: C7H14OOH2-4 => CH3CHO + C5H10-1 + OH # Reaction 4392 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.4904e+04} - equation: C7H14OOH2-5 <=> C3H6OOH2-1 + C4H8-1 # Reaction 4393 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.84061e+04} - equation: C7H14OOH3-1 => PC4H9CHO + C2H4 + OH # Reaction 4394 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.46084e+04} - equation: C7H14OOH3-5 => C2H5CHO + C4H8-1 + OH # Reaction 4395 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.5136e+04} - equation: C7H14OOH3-6 <=> C4H8OOH2-1 + C3H6 # Reaction 4396 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.84151e+04} - equation: C7H14OOH4-1 <=> C5H10OOH2-1 + C2H4 # Reaction 4397 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.81052e+04} - equation: C7H14OOH4-2 => NC3H7CHO + C3H6 + OH # Reaction 4398 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.47744e+04} - equation: C7H14OOH1-2 + O2 <=> C7H14OOH1-2O2 # Reaction 4399 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH1-3 + O2 <=> C7H14OOH1-3O2 # Reaction 4400 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH1-4 + O2 <=> C7H14OOH1-4O2 # Reaction 4401 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH1-5 + O2 <=> C7H14OOH1-5O2 # Reaction 4402 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH2-1 + O2 <=> C7H14OOH2-1O2 # Reaction 4403 rate-constant: {A: 3.432e+16, b: -1.627, Ea: 198.7} - equation: C7H14OOH2-3 + O2 <=> C7H14OOH2-3O2 # Reaction 4404 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH2-4 + O2 <=> C7H14OOH2-4O2 # Reaction 4405 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH2-5 + O2 <=> C7H14OOH2-5O2 # Reaction 4406 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH2-6 + O2 <=> C7H14OOH2-6O2 # Reaction 4407 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH3-1 + O2 <=> C7H14OOH3-1O2 # Reaction 4408 rate-constant: {A: 3.432e+16, b: -1.627, Ea: 198.7} - equation: C7H14OOH3-2 + O2 <=> C7H14OOH3-2O2 # Reaction 4409 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH3-4 + O2 <=> C7H14OOH3-4O2 # Reaction 4410 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH3-5 + O2 <=> C7H14OOH3-5O2 # Reaction 4411 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH3-6 + O2 <=> C7H14OOH3-6O2 # Reaction 4412 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH3-7 + O2 <=> C7H14OOH3-7O2 # Reaction 4413 rate-constant: {A: 3.432e+16, b: -1.627, Ea: 198.7} - equation: C7H14OOH4-1 + O2 <=> C7H14OOH4-1O2 # Reaction 4414 rate-constant: {A: 3.432e+16, b: -1.627, Ea: 198.7} - equation: C7H14OOH4-2 + O2 <=> C7H14OOH4-2O2 # Reaction 4415 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH4-3 + O2 <=> C7H14OOH4-3O2 # Reaction 4416 rate-constant: {A: 1.742e+14, b: -0.816, Ea: -536.5} - equation: C7H14OOH1-2O2 => C7KET12 + OH # Reaction 4417 rate-constant: {A: 2.441e+07, b: 1.6, Ea: 2.79e+04} - equation: C7H14OOH1-3O2 => C7KET13 + OH # Reaction 4418 rate-constant: {A: 1.098e+04, b: 2.4, Ea: 1.99e+04} - equation: C7H14OOH1-4O2 => C7KET14 + OH # Reaction 4419 rate-constant: {A: 1256.0, b: 2.2, Ea: 1.74e+04} - equation: C7H14OOH1-5O2 => C7KET15 + OH # Reaction 4420 rate-constant: {A: 1115.0, b: 1.8, Ea: 1.66e+04} - equation: C7H14OOH2-1O2 => C7KET21 + OH # Reaction 4421 rate-constant: {A: 2.763e+08, b: 1.2, Ea: 2.57e+04} - equation: C7H14OOH2-3O2 => C7KET23 + OH # Reaction 4422 rate-constant: {A: 1.748e+08, b: 1.7, Ea: 2.6e+04} - equation: C7H14OOH2-4O2 => C7KET24 + OH # Reaction 4423 rate-constant: {A: 175.4, b: 3.1, Ea: 1.75e+04} - equation: C7H14OOH2-5O2 => C7KET25 + OH # Reaction 4424 rate-constant: {A: 253.6, b: 2.6, Ea: 1.62e+04} - equation: C7H14OOH2-6O2 => C7KET26 + OH # Reaction 4425 rate-constant: {A: 1995.0, b: 1.9, Ea: 1.49e+04} - equation: C7H14OOH3-1O2 => C7KET31 + OH # Reaction 4426 rate-constant: {A: 57.86, b: 2.9, Ea: 1.7e+04} - equation: C7H14OOH3-2O2 => C7KET32 + OH # Reaction 4427 rate-constant: {A: 1.748e+08, b: 1.7, Ea: 2.6e+04} - equation: C7H14OOH3-4O2 => C7KET34 + OH # Reaction 4428 rate-constant: {A: 1.748e+08, b: 1.7, Ea: 2.6e+04} - equation: C7H14OOH3-5O2 => C7KET35 + OH # Reaction 4429 rate-constant: {A: 175.4, b: 3.1, Ea: 1.75e+04} - equation: C7H14OOH3-6O2 => C7KET36 + OH # Reaction 4430 rate-constant: {A: 253.6, b: 2.6, Ea: 1.62e+04} - equation: C7H14OOH3-7O2 => C7KET37 + OH # Reaction 4431 rate-constant: {A: 1995.0, b: 1.9, Ea: 1.49e+04} - equation: C7H14OOH4-1O2 => C7KET41 + OH # Reaction 4432 rate-constant: {A: 376.8, b: 2.2, Ea: 1.53e+04} - equation: C7H14OOH4-2O2 => C7KET42 + OH # Reaction 4433 rate-constant: {A: 175.4, b: 3.1, Ea: 1.75e+04} - equation: C7H14OOH4-3O2 => C7KET43 + OH # Reaction 4434 rate-constant: {A: 1.748e+08, b: 1.7, Ea: 2.6e+04} - equation: C7H14OOH1-2O2 <=> C7H13-2D1OOH + HO2 # Reaction 4435 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH1-3O2 <=> C7H13-2D1OOH + HO2 # Reaction 4436 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH1-3O2 <=> C7H13-3D1OOH + HO2 # Reaction 4437 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH1-4O2 <=> C7H13-3D1OOH + HO2 # Reaction 4438 rate-constant: {A: 1.08e+11, b: 0.73, Ea: 2.9883e+04} - equation: C7H14OOH1-4O2 <=> C7H13-3D7OOH + HO2 # Reaction 4439 rate-constant: {A: 1.08e+11, b: 0.73, Ea: 2.9883e+04} - equation: C7H14OOH1-5O2 <=> C7H13-3D7OOH + HO2 # Reaction 4440 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH1-5O2 <=> C7H13-2D7OOH + HO2 # Reaction 4441 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH2-3O2 <=> C7H13-3D2OOH + HO2 # Reaction 4442 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH2-4O2 <=> C7H13-3D2OOH + HO2 # Reaction 4443 rate-constant: {A: 1.08e+11, b: 0.73, Ea: 2.9883e+04} - equation: C7H14OOH2-4O2 <=> C7H13-3D6OOH + HO2 # Reaction 4444 rate-constant: {A: 1.08e+11, b: 0.73, Ea: 2.9883e+04} - equation: C7H14OOH2-5O2 <=> C7H13-3D6OOH + HO2 # Reaction 4445 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH2-5O2 <=> C7H13-2D6OOH + HO2 # Reaction 4446 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH2-6O2 <=> C7H13-2D6OOH + HO2 # Reaction 4447 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH2-6O2 <=> C7H13-1D6OOH + HO2 # Reaction 4448 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C7H14OOH3-1O2 <=> C7H13-1D3OOH + HO2 # Reaction 4449 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C7H14OOH3-2O2 <=> C7H13-1D3OOH + HO2 # Reaction 4450 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C7H14OOH3-4O2 <=> C7H13-3D5OOH + HO2 # Reaction 4451 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH3-5O2 <=> C7H13-3D5OOH + HO2 # Reaction 4452 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH3-5O2 <=> C7H13-2D5OOH + HO2 # Reaction 4453 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH3-6O2 <=> C7H13-2D5OOH + HO2 # Reaction 4454 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH3-6O2 <=> C7H13-1D5OOH + HO2 # Reaction 4455 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C7H14OOH3-7O2 <=> C7H13-1D5OOH + HO2 # Reaction 4456 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C7H14OOH4-1O2 <=> C7H13-1D4OOH + HO2 # Reaction 4457 rate-constant: {A: 3.87e+07, b: 1.58, Ea: 2.85e+04} - equation: C7H14OOH4-2O2 <=> C7H13-1D4OOH + HO2 # Reaction 4458 rate-constant: {A: 3.605e+09, b: 1.13, Ea: 3.01e+04} - equation: C7H14OOH4-2O2 <=> C7H13-2D4OOH + HO2 # Reaction 4459 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH4-3O2 <=> C7H13-2D4OOH + HO2 # Reaction 4460 rate-constant: {A: 7.71e+09, b: 1.01, Ea: 2.9362e+04} - equation: C7H14OOH1-2O2 <=> C7H13Q12-3 # Reaction 4461 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-2O2 <=> C7H13Q12-4 # Reaction 4462 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH1-2O2 <=> C7H13Q12-5 # Reaction 4463 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH1-2O2 <=> C7H13Q12-6 # Reaction 4464 rate-constant: {A: 1.3e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH1-3O2 <=> C7H13Q13-2 # Reaction 4465 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-3O2 <=> C7H13Q13-4 # Reaction 4466 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-3O2 <=> C7H13Q13-5 # Reaction 4467 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH1-3O2 <=> C7H13Q13-6 # Reaction 4468 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH1-3O2 <=> C7H13Q13-7 # Reaction 4469 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C7H14OOH1-4O2 <=> C7H13Q14-2 # Reaction 4470 rate-constant: {A: 1.407e+11, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH1-4O2 <=> C7H13Q14-3 # Reaction 4471 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-4O2 <=> C7H13Q14-5 # Reaction 4472 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-4O2 <=> C7H13Q14-6 # Reaction 4473 rate-constant: {A: 1.407e+11, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH1-4O2 <=> C7H13Q14-7 # Reaction 4474 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C7H14OOH1-5O2 <=> C7H13Q15-2 # Reaction 4475 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH1-5O2 <=> C7H13Q15-3 # Reaction 4476 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH1-5O2 <=> C7H13Q15-4 # Reaction 4477 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-5O2 <=> C7H13Q15-6 # Reaction 4478 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH1-5O2 <=> C7H13Q15-7 # Reaction 4479 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C7H14OOH2-1O2 <=> C7H13Q12-3 # Reaction 4480 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C7H14OOH2-1O2 <=> C7H13Q12-4 # Reaction 4481 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH2-1O2 <=> C7H13Q12-5 # Reaction 4482 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH2-3O2 <=> C7H13Q23-1 # Reaction 4483 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C7H14OOH2-3O2 <=> C7H13Q23-4 # Reaction 4484 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH2-3O2 <=> C7H13Q23-5 # Reaction 4485 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH2-3O2 <=> C7H13Q23-6 # Reaction 4486 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH2-3O2 <=> C7H13Q23-7 # Reaction 4487 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C7H14OOH2-4O2 <=> C7H13Q24-1 # Reaction 4488 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C7H14OOH2-4O2 <=> C7H13Q24-3 # Reaction 4489 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH2-4O2 <=> C7H13Q24-5 # Reaction 4490 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH2-4O2 <=> C7H13Q24-6 # Reaction 4491 rate-constant: {A: 1.407e+11, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH2-4O2 <=> C7H13Q24-7 # Reaction 4492 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C7H14OOH2-5O2 <=> C7H13Q25-1 # Reaction 4493 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C7H14OOH2-5O2 <=> C7H13Q25-3 # Reaction 4494 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH2-5O2 <=> C7H13Q25-4 # Reaction 4495 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH2-5O2 <=> C7H13Q25-6 # Reaction 4496 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH2-5O2 <=> C7H13Q25-7 # Reaction 4497 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C7H14OOH2-6O2 <=> C7H13Q26-4 # Reaction 4498 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH2-6O2 <=> C7H13Q26-3 # Reaction 4499 rate-constant: {A: 8.58e+08, b: 0.9, Ea: 2.95e+04} duplicate: true - equation: C7H14OOH2-6O2 <=> C7H13Q26-3 # Reaction 4500 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} duplicate: true - equation: C7H14OOH2-6O2 <=> C7H13Q26-1 # Reaction 4501 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C7H14OOH3-1O2 <=> C7H13Q13-2 # Reaction 4502 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C7H14OOH3-1O2 <=> C7H13Q13-4 # Reaction 4503 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH3-1O2 <=> C7H13Q13-5 # Reaction 4504 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH3-2O2 <=> C7H13Q23-1 # Reaction 4505 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C7H14OOH3-2O2 <=> C7H13Q23-4 # Reaction 4506 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH3-2O2 <=> C7H13Q23-5 # Reaction 4507 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH3-2O2 <=> C7H13Q23-6 # Reaction 4508 rate-constant: {A: 1.3e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH3-4O2 <=> C7H13Q34-1 # Reaction 4509 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C7H14OOH3-4O2 <=> C7H13Q34-2 # Reaction 4510 rate-constant: {A: 1.407e+11, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH3-4O2 <=> C7H13Q34-5 # Reaction 4511 rate-constant: {A: 3.432e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH3-4O2 <=> C7H13Q34-6 # Reaction 4512 rate-constant: {A: 1.407e+11, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH3-4O2 <=> C7H13Q34-7 # Reaction 4513 rate-constant: {A: 1.233e+06, b: 1.5, Ea: 2.0e+04} - equation: C7H14OOH3-5O2 <=> C7H13Q35-1 # Reaction 4514 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} duplicate: true - equation: C7H14OOH3-5O2 <=> C7H13Q35-2 # Reaction 4515 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} duplicate: true - equation: C7H14OOH3-5O2 <=> C7H13Q35-4 # Reaction 4516 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH3-5O2 <=> C7H13Q35-2 # Reaction 4517 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} duplicate: true - equation: C7H14OOH3-5O2 <=> C7H13Q35-1 # Reaction 4518 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} duplicate: true - equation: C7H14OOH3-6O2 <=> C7H13Q25-6 # Reaction 4519 rate-constant: {A: 1.3e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH3-6O2 <=> C7H13Q25-4 # Reaction 4520 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH3-6O2 <=> C7H13Q25-3 # Reaction 4521 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH3-6O2 <=> C7H13Q25-1 # Reaction 4522 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C7H14OOH3-7O2 <=> C7H13Q15-4 # Reaction 4523 rate-constant: {A: 3.718e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH3-7O2 <=> C7H13Q15-3 # Reaction 4524 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C7H14OOH3-7O2 <=> C7H13Q15-2 # Reaction 4525 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C7H14OOH4-1O2 <=> C7H13Q14-2 # Reaction 4526 rate-constant: {A: 4.009e+08, b: 1.1, Ea: 3.01e+04} - equation: C7H14OOH4-1O2 <=> C7H13Q14-3 # Reaction 4527 rate-constant: {A: 1.36e+07, b: 1.3, Ea: 1.82e+04} - equation: C7H14OOH4-1O2 <=> C7H13Q14-5 # Reaction 4528 rate-constant: {A: 2.6e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH4-2O2 <=> C7H13Q24-1 # Reaction 4529 rate-constant: {A: 2.11e+11, b: 0.2, Ea: 3.42e+04} - equation: C7H14OOH4-2O2 <=> C7H13Q24-3 # Reaction 4530 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH4-2O2 <=> C7H13Q24-5 # Reaction 4531 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH4-2O2 <=> C7H13Q24-6 # Reaction 4532 rate-constant: {A: 1.3e+06, b: 1.0, Ea: 1.82e+04} - equation: C7H14OOH4-3O2 <=> C7H13Q34-1 # Reaction 4533 rate-constant: {A: 1.439e+07, b: 1.4, Ea: 2.08e+04} - equation: C7H14OOH4-3O2 <=> C7H13Q34-2 # Reaction 4534 rate-constant: {A: 1.716e+09, b: 0.9, Ea: 2.95e+04} - equation: C7H14OOH4-3O2 <=> C7H13Q34-5 # Reaction 4535 rate-constant: {A: 7.033e+10, b: 0.2, Ea: 1.85e+04} - equation: C7H14OOH4-3O2 <=> C7H13Q34-6 # Reaction 4536 rate-constant: {A: 1.859e+06, b: 1.2, Ea: 1.66e+04} - equation: C7H14OOH4-3O2 <=> C7H13Q34-7 # Reaction 4537 rate-constant: {A: 1.47e+05, b: 1.5, Ea: 1.99e+04} - equation: C7H13Q12-3 => NC5H10CHO-1 + CH2O2H + OH # Reaction 4538 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 5.58888e+04} - equation: C7H13Q12-4 => C5H10-1 + HO2CH2CHO + OH # Reaction 4539 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 3964.8} - equation: C7H13Q12-5 <=> C4H8-1 + C3H51-2,3OOH # Reaction 4540 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.60251e+04} - equation: C7H13Q13-4 => C2H4O2H + PC4H8CHO-1 + OH # Reaction 4541 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 4.78209e+04} - equation: C7H13Q13-5 => C3KET13 + C4H8-1 + OH # Reaction 4542 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.42764e+04} - equation: C7H13Q13-6 => C4H71-4OOH + C3H6 + HO2 # Reaction 4543 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.84151e+04} - equation: C7H13Q14-2 => AC3H5OOH + NC3H7CHO + OH # Reaction 4544 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.65004e+04} - equation: C7H13Q14-3 => C6H11-1D3OOH + CH2O + OH # Reaction 4545 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.89684e+04} - equation: C7H13Q14-6 => NC4KET14 + C3H6 + OH # Reaction 4546 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.47744e+04} - equation: C7H13Q14-7 <=> C5H91-2,5OOH + C2H4 # Reaction 4547 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.75471e+04} - equation: C7H13Q15-2 <=> AC3H5OOH + C4H8OOH2-1 # Reaction 4548 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 3.14436e+04} - equation: C7H13Q15-3 => C6H11-1D4OOH + CH2O + OH # Reaction 4549 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.73306e+04} - equation: C7H13Q15-3 => C4H71-4OOH + C2H5CHO + OH # Reaction 4550 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.48869e+04} - equation: C7H13Q15-4 <=> C2H4O2H + C5H91-3OOH # Reaction 4551 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.76156e+04} - equation: C7H13Q15-7 => NC5KET15 + C2H4 + OH # Reaction 4552 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.40625e+04} - equation: C7H13Q23-1 => CH2CHO + PC4H9CHO + 2 OH # Reaction 4553 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 3.15952e+04} - equation: C7H13Q23-4 => CH3CHO + PC4H8CHO-1 + 2 OH # Reaction 4554 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 3.14289e+04} - equation: C7H13Q23-5 => C3KET12 + C4H8-1 + OH # Reaction 4555 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.40326e+04} - equation: C7H13Q23-6 => C4H71-3OOH + C3H6 + HO2 # Reaction 4556 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.84151e+04} - equation: C7H13Q24-1 => CH2CHO + C5H10OOH2-1 + OH # Reaction 4557 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 4.86558e+04} - equation: C7H13Q24-6 => NC4KET13 + C3H6 + OH # Reaction 4558 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.47744e+04} - equation: C7H13Q24-7 <=> C5H91-2,4OOH + C2H4 # Reaction 4559 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.78634e+04} - equation: C7H13Q25-3 => C2H5CHO + C4H71-3OOH + OH # Reaction 4560 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.48657e+04} - equation: C7H13Q25-4 => CH3CHO + C5H91-3OOH + OH # Reaction 4561 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.46389e+04} - equation: C7H13Q25-7 => NC5KET14 + C2H4 + OH # Reaction 4562 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.42427e+04} - equation: C7H13Q26-3 <=> C4H71-3OOH + C3H6OOH2-1 # Reaction 4563 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.79318e+04} - equation: C7H13Q26-4 => CH3CHO + C5H91-4OOH + OH # Reaction 4564 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.48403e+04} - equation: C7H13Q34-1 => NC5KET12 + C2H4 + OH # Reaction 4565 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.54671e+04} - equation: C7H13Q34-2 => CH3CHCHO + NC3H7CHO + 2 OH # Reaction 4566 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 3.10876e+04} - equation: C7H13Q34-5 => C2H5CHO + C3H6CHO-3 + 2 OH # Reaction 4567 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 3.16769e+04} - equation: C7H13Q34-6 => NC4KET12 + C3H6 + OH # Reaction 4568 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.65289e+04} - equation: C7H13Q34-7 <=> C5H91-2,3OOH + C2H4 # Reaction 4569 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 2.78634e+04} - equation: C7H13Q35-1 => NC5KET13 + C2H4 + OH # Reaction 4570 rate-constant: {A: 3.081e+13, b: 0.0, Ea: 2.42427e+04} - equation: C7H13Q35-2 => CH3CHCHO + C4H8OOH2-1 + OH # Reaction 4571 rate-constant: {A: 1.392e+14, b: 0.0, Ea: 4.77837e+04} - equation: C7KET12 <=> C7KET12O + OH # Reaction 4572 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET13 <=> C7KET13O + OH # Reaction 4573 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET14 <=> C7KET14O + OH # Reaction 4574 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET15 <=> C7KET15O + OH # Reaction 4575 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET21 <=> C7KET21O + OH # Reaction 4576 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C7KET23 <=> C7KET23O + OH # Reaction 4577 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET24 <=> C7KET24O + OH # Reaction 4578 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET25 <=> C7KET25O + OH # Reaction 4579 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET26 <=> C7KET26O + OH # Reaction 4580 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET31 <=> C7KET31O + OH # Reaction 4581 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C7KET32 <=> C7KET32O + OH # Reaction 4582 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET34 <=> C7KET34O + OH # Reaction 4583 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET35 <=> C7KET35O + OH # Reaction 4584 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET36 <=> C7KET36O + OH # Reaction 4585 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET37 <=> C7KET37O + OH # Reaction 4586 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C7KET41 <=> C7KET41O + OH # Reaction 4587 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.23e+04} - equation: C7KET42 <=> C7KET42O + OH # Reaction 4588 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET43 <=> C7KET43O + OH # Reaction 4589 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.19e+04} - equation: C7KET12O <=> NC5H11CHO + HCO # Reaction 4590 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET13O <=> PC4H9CHO + CH2CHO # Reaction 4591 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET14O <=> NC3H7CHO + CH2CH2CHO # Reaction 4592 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET15O <=> C2H5CHO + C3H6CHO-1 # Reaction 4593 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET21O <=> CH2O + NC5H11CO # Reaction 4594 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET23O <=> PC4H9CHO + CH3CO # Reaction 4595 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET24O <=> NC3H7CHO + CH3COCH2 # Reaction 4596 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET25O <=> C2H5CHO + CH2CH2COCH3 # Reaction 4597 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET26O <=> CH3CHO + CH2CH2CH2COCH3 # Reaction 4598 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET31O <=> CH2O + C6Y2-1J # Reaction 4599 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET32O <=> CH3CHO + PC4H9CO # Reaction 4600 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET34O <=> NC3H7CHO + C2H5CO # Reaction 4601 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET35O <=> C2H5CHO + C2H5COCH2 # Reaction 4602 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET36O <=> CH3CHO + CH2CH2COC2H5 # Reaction 4603 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET37O <=> C6Y3-6J + CH2O # Reaction 4604 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET41O <=> C6Y3-1J + CH2O # Reaction 4605 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET42O <=> CH3CHO + NC3H7COCH2 # Reaction 4606 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7KET43O <=> C2H5CHO + NC3H7CO # Reaction 4607 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H13Q12-3 <=> C7H13-2D1OOH + HO2 # Reaction 4608 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q13-2 <=> C7H13-1D3OOH + HO2 # Reaction 4609 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C7H13Q13-2 <=> C7H13-2D1OOH + HO2 # Reaction 4610 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q13-4 <=> C7H13-3D1OOH + HO2 # Reaction 4611 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q14-2 <=> C7H13-1D4OOH + HO2 # Reaction 4612 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C7H13Q14-3 <=> C7H13-3D1OOH + HO2 # Reaction 4613 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q14-5 <=> C7H13-3D7OOH + HO2 # Reaction 4614 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q15-2 <=> C7H13-1D5OOH + HO2 # Reaction 4615 rate-constant: {A: 5.63e+09, b: 0.97, Ea: 1.5e+04} - equation: C7H13Q15-4 <=> C7H13-3D7OOH + HO2 # Reaction 4616 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q15-6 <=> C7H13-2D7OOH + HO2 # Reaction 4617 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q23-1 <=> C7H13-1D3OOH + HO2 # Reaction 4618 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C7H13Q23-4 <=> C7H13-3D2OOH + HO2 # Reaction 4619 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q24-1 <=> C7H13-1D4OOH + HO2 # Reaction 4620 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C7H13Q24-3 <=> C7H13-2D4OOH + HO2 # Reaction 4621 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q24-3 <=> C7H13-3D2OOH + HO2 # Reaction 4622 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q24-5 <=> C7H13-3D6OOH + HO2 # Reaction 4623 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q25-1 <=> C7H13-1D5OOH + HO2 # Reaction 4624 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C7H13Q25-3 <=> C7H13-2D5OOH + HO2 # Reaction 4625 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q25-4 <=> C7H13-3D6OOH + HO2 # Reaction 4626 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q25-6 <=> C7H13-2D6OOH + HO2 # Reaction 4627 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q26-1 <=> C7H13-1D6OOH + HO2 # Reaction 4628 rate-constant: {A: 1.78e+12, b: 0.24, Ea: 1.57e+04} - equation: C7H13Q26-3 <=> C7H13-2D6OOH + HO2 # Reaction 4629 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q34-2 <=> C7H13-2D4OOH + HO2 # Reaction 4630 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q34-5 <=> C7H13-3D5OOH + HO2 # Reaction 4631 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q35-2 <=> C7H13-2D5OOH + HO2 # Reaction 4632 rate-constant: {A: 3.5e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13Q35-4 <=> C7H13-3D5OOH + HO2 # Reaction 4633 rate-constant: {A: 7.0e+11, b: 0.37, Ea: 1.49e+04} - equation: C7H13-1D3OOH => C2H3CHO + PC4H9 + OH # Reaction 4634 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-1D4OOH => C3H5-A + NC3H7CHO + OH # Reaction 4635 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-1D5OOH => C4H71-4 + C2H5CHO + OH # Reaction 4636 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-1D6OOH => C5H91-5 + CH3CHO + OH # Reaction 4637 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-2D1OOH => C2H2 + PC4H9 + CH2O2H # Reaction 4638 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-2D4OOH => SC3H5CHO + NC3H7 + OH # Reaction 4639 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-2D5OOH => C4H71-3 + C2H5CHO + OH # Reaction 4640 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-2D6OOH => C5H92-5 + CH3CHO + OH # Reaction 4641 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-2D7OOH => C6H112-6 + CH2O + OH # Reaction 4642 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13-3D1OOH => C6H111-3 + CH2O + OH # Reaction 4643 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13-3D2OOH => C6D2Y1 + CH3 + OH # Reaction 4644 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13-3D5OOH => C5D2Y1 + C2H5 + OH # Reaction 4645 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-3D6OOH => C5H91-3 + CH3CHO + OH # Reaction 4646 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13-3D7OOH => C6H113-1 + CH2O + OH # Reaction 4647 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13Q12-3 <=> C7H13O13-2OOH + OH # Reaction 4648 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.80029e+04} - equation: C7H13Q12-3 <=> C7H13O23-1OOH + OH # Reaction 4649 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q12-4 <=> C7H13O14-2OOH + OH # Reaction 4650 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.15011e+04} - equation: C7H13Q12-4 <=> C7H13O24-1OOH + OH # Reaction 4651 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q12-5 <=> C7H13O15-2OOH + OH # Reaction 4652 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1137e+04} - equation: C7H13Q12-5 <=> C7H13O25-1OOH + OH # Reaction 4653 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.04897e+04} - equation: C7H13Q12-6 <=> C7H13O26-1OOH + OH # Reaction 4654 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.11288e+04} - equation: C7H13Q13-2 <=> C7H13O12-3OOH + OH # Reaction 4655 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3376e+04} - equation: C7H13Q13-2 <=> C7H13O23-1OOH + OH # Reaction 4656 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q13-4 <=> C7H13O14-3OOH + OH # Reaction 4657 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.10678e+04} - equation: C7H13Q13-4 <=> C7H13O34-1OOH + OH # Reaction 4658 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q13-5 <=> C7H13O15-3OOH + OH # Reaction 4659 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.1137e+04} - equation: C7H13Q13-5 <=> C7H13O35-1OOH + OH # Reaction 4660 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q13-6 <=> C7H13O25-7OOH + OH # Reaction 4661 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.14897e+04} - equation: C7H13Q13-7 <=> C7H13O15-7OOH + OH # Reaction 4662 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.19079e+04} - equation: C7H13Q14-2 <=> C7H13O12-4OOH + OH # Reaction 4663 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3376e+04} - equation: C7H13Q14-2 <=> C7H13O24-1OOH + OH # Reaction 4664 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.69953e+04} - equation: C7H13Q14-3 <=> C7H13O13-4OOH + OH # Reaction 4665 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.80029e+04} - equation: C7H13Q14-3 <=> C7H13O34-1OOH + OH # Reaction 4666 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q14-5 <=> C7H13O15-4OOH + OH # Reaction 4667 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.08254e+04} - equation: C7H13Q14-5 <=> C7H13O34-7OOH + OH # Reaction 4668 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q14-6 <=> C7H13O24-7OOH + OH # Reaction 4669 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q14-7 <=> C7H13O14-7OOH + OH # Reaction 4670 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.25728e+04} - equation: C7H13Q15-2 <=> C7H13O12-5OOH + OH # Reaction 4671 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.3376e+04} - equation: C7H13Q15-2 <=> C7H13O25-1OOH + OH # Reaction 4672 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.10564e+04} - equation: C7H13Q15-3 <=> C7H13O13-5OOH + OH # Reaction 4673 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.82917e+04} - equation: C7H13Q15-3 <=> C7H13O35-1OOH + OH # Reaction 4674 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q15-4 <=> C7H13O14-5OOH + OH # Reaction 4675 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.10678e+04} - equation: C7H13Q15-4 <=> C7H13O34-7OOH + OH # Reaction 4676 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q15-6 <=> C7H13O23-7OOH + OH # Reaction 4677 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q15-7 <=> C7H13O13-7OOH + OH # Reaction 4678 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.90062e+04} - equation: C7H13Q23-1 <=> C7H13O12-3OOH + OH # Reaction 4679 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.50339e+04} - equation: C7H13Q23-1 <=> C7H13O13-2OOH + OH # Reaction 4680 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.90442e+04} - equation: C7H13Q23-4 <=> C7H13O24-3OOH + OH # Reaction 4681 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.69953e+04} - equation: C7H13Q23-4 <=> C7H13O34-2OOH + OH # Reaction 4682 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q23-5 <=> C7H13O25-3OOH + OH # Reaction 4683 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.14897e+04} - equation: C7H13Q23-5 <=> C7H13O35-2OOH + OH # Reaction 4684 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q23-6 <=> C7H13O26-3OOH + OH # Reaction 4685 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.11288e+04} - equation: C7H13Q23-6 <=> C7H13O25-6OOH + OH # Reaction 4686 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.14897e+04} - equation: C7H13Q23-7 <=> C7H13O15-6OOH + OH # Reaction 4687 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.19079e+04} - equation: C7H13Q24-1 <=> C7H13O12-4OOH + OH # Reaction 4688 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.50339e+04} - equation: C7H13Q24-1 <=> C7H13O14-2OOH + OH # Reaction 4689 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.26298e+04} - equation: C7H13Q24-3 <=> C7H13O23-4OOH + OH # Reaction 4690 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q24-3 <=> C7H13O34-2OOH + OH # Reaction 4691 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q24-5 <=> C7H13O25-4OOH + OH # Reaction 4692 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.10564e+04} - equation: C7H13Q24-5 <=> C7H13O34-6OOH + OH # Reaction 4693 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q24-6 <=> C7H13O26-4OOH + OH # Reaction 4694 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.11288e+04} - equation: C7H13Q24-6 <=> C7H13O24-6OOH + OH # Reaction 4695 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q24-7 <=> C7H13O14-6OOH + OH # Reaction 4696 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.25728e+04} - equation: C7H13Q25-1 <=> C7H13O12-5OOH + OH # Reaction 4697 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.50339e+04} - equation: C7H13Q25-1 <=> C7H13O15-2OOH + OH # Reaction 4698 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.19489e+04} - equation: C7H13Q25-3 <=> C7H13O23-5OOH + OH # Reaction 4699 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q25-3 <=> C7H13O35-2OOH + OH # Reaction 4700 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.69953e+04} - equation: C7H13Q25-4 <=> C7H13O24-5OOH + OH # Reaction 4701 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.69953e+04} - equation: C7H13Q25-4 <=> C7H13O34-6OOH + OH # Reaction 4702 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q25-6 <=> C7H13O26-3OOH + OH # Reaction 4703 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.08172e+04} - equation: C7H13Q25-6 <=> C7H13O23-6OOH + OH # Reaction 4704 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q25-7 <=> C7H13O13-6OOH + OH # Reaction 4705 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.90062e+04} - equation: C7H13Q26-1 <=> C7H13O12-6OOH + OH # Reaction 4706 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.50339e+04} - equation: C7H13Q26-3 <=> C7H13O23-6OOH + OH # Reaction 4707 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q26-3 <=> C7H13O25-6OOH + OH # Reaction 4708 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.10564e+04} - equation: C7H13Q26-4 <=> C7H13O24-6OOH + OH # Reaction 4709 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q34-1 <=> C7H13O13-4OOH + OH # Reaction 4710 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.90062e+04} - equation: C7H13Q34-1 <=> C7H13O14-3OOH + OH # Reaction 4711 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.25728e+04} - equation: C7H13Q34-2 <=> C7H13O23-4OOH + OH # Reaction 4712 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q34-2 <=> C7H13O24-3OOH + OH # Reaction 4713 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.69953e+04} - equation: C7H13Q34-5 <=> C7H13O35-4OOH + OH # Reaction 4714 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.69953e+04} - equation: C7H13Q34-5 <=> C7H13O34-5OOH + OH # Reaction 4715 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q34-6 <=> C7H13O25-4OOH + OH # Reaction 4716 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.14897e+04} - equation: C7H13Q34-6 <=> C7H13O24-5OOH + OH # Reaction 4717 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.72841e+04} - equation: C7H13Q34-7 <=> C7H13O15-4OOH + OH # Reaction 4718 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.19079e+04} - equation: C7H13Q34-7 <=> C7H13O14-5OOH + OH # Reaction 4719 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.25728e+04} - equation: C7H13Q35-1 <=> C7H13O13-5OOH + OH # Reaction 4720 rate-constant: {A: 3.17e+11, b: 0.0, Ea: 1.90062e+04} - equation: C7H13Q35-1 <=> C7H13O15-3OOH + OH # Reaction 4721 rate-constant: {A: 5.2e+09, b: 0.0, Ea: 1.19079e+04} - equation: C7H13Q35-2 <=> C7H13O23-5OOH + OH # Reaction 4722 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13Q35-2 <=> C7H13O25-3OOH + OH # Reaction 4723 rate-constant: {A: 2.77e+10, b: 0.0, Ea: 1.10564e+04} - equation: C7H13Q35-4 <=> C7H13O34-5OOH + OH # Reaction 4724 rate-constant: {A: 1.775e+12, b: 0.0, Ea: 1.33639e+04} - equation: C7H13O12-3OOH => CH2CHO + PC4H9CHO + OH # Reaction 4725 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O12-4OOH => C3H5O + NC3H7CHO + OH # Reaction 4726 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O12-5OOH => C4H7O12-4 + C2H5CHO + OH # Reaction 4727 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O12-6OOH => C5H9O12-5 + CH3CHO + OH # Reaction 4728 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O13-2OOH => CH2CHO + PC4H9CHO + OH # Reaction 4729 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O13-4OOH => CH2CH2CHO + NC3H7CHO + OH # Reaction 4730 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O13-5OOH => C4H7O13-4 + C2H5CHO + OH # Reaction 4731 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O13-6OOH => C5H9O13-5 + CH3CHO + OH # Reaction 4732 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O13-7OOH => C6H11O13-6 + CH2O + OH # Reaction 4733 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O14-2OOH => CH2O + NC5H10CHO-2 + OH # Reaction 4734 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O14-3OOH => CH2CH2CHO + NC3H7CHO + OH # Reaction 4735 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O14-5OOH => C3H6CHO-1 + C2H5CHO + OH # Reaction 4736 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O14-6OOH => C5H9O14-5 + CH3CHO + OH # Reaction 4737 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O14-7OOH => C6H11O14-6 + CH2O + OH # Reaction 4738 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O15-2OOH => CH2O + NC5H10CHO-3 + OH # Reaction 4739 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O15-3OOH => C4H8-1 + C3Y1-3OR + OH # Reaction 4740 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O15-4OOH => C3H6CHO-1 + C2H5CHO + OH # Reaction 4741 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O15-6OOH => PC4H8CHO-4 + CH3CHO + OH # Reaction 4742 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O15-7OOH => C6H11O15-6 + CH2O + OH # Reaction 4743 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O23-1OOH => CH2O + NC5H10CHO-1 + OH # Reaction 4744 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O23-4OOH => CH3CHCHO + NC3H7CHO + OH # Reaction 4745 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O23-5OOH => C4H7O23-1 + C2H5CHO + OH # Reaction 4746 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O23-6OOH => C5H9O23-5 + CH3CHO + OH # Reaction 4747 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O23-7OOH => C6H11O23-6 + CH2O + OH # Reaction 4748 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O24-1OOH => CH2O + NC5H10CHO-2 + OH # Reaction 4749 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O24-3OOH => CH3CHCHO + NC3H7CHO + OH # Reaction 4750 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O24-5OOH => C3H6CHO-2 + C2H5CHO + OH # Reaction 4751 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O24-6OOH => C5H9O24-1 + CH3CHO + OH # Reaction 4752 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O24-7OOH => C6H11O24-6 + CH2O + OH # Reaction 4753 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O25-1OOH => CH2O + NC5H10CHO-3 + OH # Reaction 4754 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O25-3OOH => CH3CHO + PC4H8CHO-2 + OH # Reaction 4755 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O25-4OOH => C3H6CHO-2 + C2H5CHO + OH # Reaction 4756 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O25-6OOH => PC4H8CHO-3 + CH3CHO + OH # Reaction 4757 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O25-7OOH => C6H11-1D5O + CH2O + OH # Reaction 4758 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O26-1OOH => CH2O + NC5H10CHO-4 + OH # Reaction 4759 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O26-3OOH => CH3CHO + PC4H8CHO-3 + OH # Reaction 4760 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O26-4OOH => C3H6 + C4Y1-3OR + OH # Reaction 4761 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O34-1OOH => C6H11O23-1 + CH2O + OH # Reaction 4762 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O34-2OOH => CH3CHO + PC4H8CHO-1 + OH # Reaction 4763 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O34-5OOH => C3H6CHO-3 + C2H5CHO + OH # Reaction 4764 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O34-6OOH => C5H9O23-1 + CH3CHO + OH # Reaction 4765 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O34-7OOH => C6H11O34-1 + CH2O + OH # Reaction 4766 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O35-1OOH => CH2O + C6H11O24-1 + OH # Reaction 4767 rate-constant: {A: 1.5e+16, b: 0.0, Ea: 4.2e+04} - equation: C7H13O35-2OOH => CH3CHO + PC4H8CHO-2 + OH # Reaction 4768 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H13O35-4OOH => C2H5CHO + C3H6CHO-1 + OH # Reaction 4769 rate-constant: {A: 1.05e+16, b: 0.0, Ea: 4.16e+04} - equation: C7H14O1-2 + OH => CH2CO + C5H11-1 + H2O # Reaction 4770 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-2 + OH => C2H3CHO + PC4H9 + H2O # Reaction 4771 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-3 + OH => C2H4 + PC4H9CO + H2O # Reaction 4772 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-3 + OH => HCO + C6H12-1 + H2O # Reaction 4773 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-4 + OH => NC3H7COCH2 + C2H4 + H2O # Reaction 4774 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-4 + OH => CH2CHO + C5H10-1 + H2O # Reaction 4775 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-5 + OH => CH2CH2CHO + C4H8-1 + H2O # Reaction 4776 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-5 + OH => CH2CH2COC2H5 + C2H4 + H2O # Reaction 4777 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-3 + OH => C2H3COCH3 + NC3H7 + H2O # Reaction 4778 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-3 + OH => PC4H9CO + C2H4 + H2O # Reaction 4779 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-4 + OH => C3H6 + NC3H7CO + H2O # Reaction 4780 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-4 + OH => CH3CO + C5H10-1 + H2O # Reaction 4781 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-5 + OH => C2H5COCH2 + C3H6 + H2O # Reaction 4782 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-5 + OH => CH3COCH2 + C4H8-1 + H2O # Reaction 4783 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O2-6 + OH => C3H6 + CH2CH2COCH3 + H2O # Reaction 4784 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O3-4 + OH => C2H5 + NC53ONE-1 + H2O # Reaction 4785 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O3-4 + OH => C2H5CHCO + NC3H7 + H2O # Reaction 4786 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O3-5 + OH => C2H5CO + C4H8-1 + H2O # Reaction 4787 rate-constant: {A: 2.5e+12, b: 0.0, Ea: 0.0} - equation: C7H14O1-2 + HO2 => CH2CO + C5H11-1 + H2O2 # Reaction 4788 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-2 + HO2 => C2H3CHO + PC4H9 + H2O2 # Reaction 4789 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-3 + HO2 => C2H4 + PC4H9CO + H2O2 # Reaction 4790 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-3 + HO2 => HCO + C6H12-1 + H2O2 # Reaction 4791 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-4 + HO2 => NC3H7COCH2 + C2H4 + H2O2 # Reaction 4792 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-4 + HO2 => CH2CHO + C5H10-1 + H2O2 # Reaction 4793 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-5 + HO2 => CH2CH2CHO + C4H8-1 + H2O2 # Reaction 4794 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O1-5 + HO2 => CH2CH2COC2H5 + C2H4 + H2O2 # Reaction 4795 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-3 + HO2 => C2H3COCH3 + NC3H7 + H2O2 # Reaction 4796 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-3 + HO2 => PC4H9CO + C2H4 + H2O2 # Reaction 4797 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-4 + HO2 => C3H6 + NC3H7CO + H2O2 # Reaction 4798 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-4 + HO2 => CH3CO + C5H10-1 + H2O2 # Reaction 4799 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-5 + HO2 => C2H5COCH2 + C3H6 + H2O2 # Reaction 4800 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-5 + HO2 => CH3COCH2 + C4H8-1 + H2O2 # Reaction 4801 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O2-6 + HO2 => C3H6 + CH2CH2COCH3 + H2O2 # Reaction 4802 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O3-4 + HO2 => C2H5 + NC53ONE-1 + H2O2 # Reaction 4803 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O3-4 + HO2 => C2H5CHCO + NC3H7 + H2O2 # Reaction 4804 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7H14O3-5 + HO2 => C2H5CO + C4H8-1 + H2O2 # Reaction 4805 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1.77e+04} - equation: C7KET24 => H2O + C7Y24 # Reaction 4806 rate-constant: {A: 1.28e+07, b: 2.25, Ea: 4.495e+04} - equation: C7KET13 => H2O + C7Y13 # Reaction 4807 rate-constant: {A: 1.28e+07, b: 2.25, Ea: 4.495e+04} - equation: C7KET42 => H2O + C7Y24 # Reaction 4808 rate-constant: {A: 1.28e+07, b: 2.25, Ea: 4.495e+04} - equation: C7KET35 => H2O + C7Y35 # Reaction 4809 rate-constant: {A: 1.28e+07, b: 2.25, Ea: 4.495e+04} - equation: C7KET24O => C7Y24 + H # Reaction 4810 rate-constant: {A: 2.43e+09, b: 1.42, Ea: 1.938e+04} duplicate: true - equation: C7KET13O => C7Y13 + H # Reaction 4811 rate-constant: {A: 2.43e+09, b: 1.42, Ea: 1.938e+04} duplicate: true - equation: C7KET42O => C7Y24 + H # Reaction 4812 rate-constant: {A: 2.43e+09, b: 1.42, Ea: 1.938e+04} duplicate: true - equation: C7KET35O => C7Y35 + H # Reaction 4813 rate-constant: {A: 2.43e+09, b: 1.42, Ea: 1.938e+04} duplicate: true - equation: C7KET24O => C7Y24 + H # Reaction 4814 rate-constant: {A: 74.92, b: 3.49, Ea: 1.98e+04} duplicate: true - equation: C7KET13O => C7Y13 + H # Reaction 4815 rate-constant: {A: 74.92, b: 3.49, Ea: 1.98e+04} duplicate: true - equation: C7KET42O => C7Y24 + H # Reaction 4816 rate-constant: {A: 74.92, b: 3.49, Ea: 1.98e+04} duplicate: true - equation: C7KET35O => C7Y35 + H # Reaction 4817 rate-constant: {A: 74.92, b: 3.49, Ea: 1.98e+04} duplicate: true - equation: C7KET24O + O2 => C7Y24 + HO2 # Reaction 4818 rate-constant: {A: 9.04e+09, b: 0.0, Ea: 0.0} - equation: C7KET13O + O2 => C7Y13 + HO2 # Reaction 4819 rate-constant: {A: 9.04e+09, b: 0.0, Ea: 0.0} - equation: C7KET42O + O2 => C7Y24 + HO2 # Reaction 4820 rate-constant: {A: 9.04e+09, b: 0.0, Ea: 0.0} - equation: C7KET35O + O2 => C7Y35 + HO2 # Reaction 4821 rate-constant: {A: 9.04e+09, b: 0.0, Ea: 0.0} - equation: C7KET24 + OH => H2O + OH + C7Y24 # Reaction 4822 rate-constant: {A: 1.19e+10, b: 0.0, Ea: 1680.0} - equation: C7KET13 + OH => H2O + OH + C7Y13 # Reaction 4823 rate-constant: {A: 1.19e+10, b: 0.0, Ea: 1680.0} - equation: C7KET42 + OH => H2O + OH + C7Y24 # Reaction 4824 rate-constant: {A: 1.19e+10, b: 0.0, Ea: 1680.0} - equation: C7KET35 + OH => H2O + OH + C7Y35 # Reaction 4825 rate-constant: {A: 1.19e+10, b: 0.0, Ea: 1680.0} - equation: C7KET13 => HOCHO + C6Y2 # Reaction 4826 rate-constant: {A: 1.7e+05, b: 1.13, Ea: 2.61e+04} - equation: C7KET13 => CH3COOH + PC4H9CHO # Reaction 4827 rate-constant: {A: 5.1e+05, b: 1.13, Ea: 2.61e+04} - equation: C7KET24 => CH3COOH + NC3H7COCH3 # Reaction 4828 rate-constant: {A: 1.7e+05, b: 1.13, Ea: 2.61e+04} - equation: C7KET35 => C2H5COOH + C2H5COCH3 # Reaction 4829 rate-constant: {A: 3.4e+05, b: 1.13, Ea: 2.61e+04} - equation: CH3CO + PC4H9 <=> C6Y2 # Reaction 4830 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C7H14OOH1-2O2 + CH3 => CH3O + C7H14OOH1-2O # Reaction 4831 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-3O2 + CH3 => CH3O + C7H14OOH1-3O # Reaction 4832 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-4O2 + CH3 => CH3O + C7H14OOH1-4O # Reaction 4833 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-5O2 + CH3 => CH3O + C7H14OOH1-5O # Reaction 4834 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-1O2 + CH3 => CH3O + C7H14OOH2-1O # Reaction 4835 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-3O2 + CH3 => CH3O + C7H14OOH2-3O # Reaction 4836 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-4O2 + CH3 => CH3O + C7H14OOH2-4O # Reaction 4837 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-5O2 + CH3 => CH3O + C7H14OOH2-5O # Reaction 4838 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-6O2 + CH3 => CH3O + C7H14OOH2-6O # Reaction 4839 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-1O2 + CH3 => CH3O + C7H14OOH3-1O # Reaction 4840 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-2O2 + CH3 => CH3O + C7H14OOH3-2O # Reaction 4841 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-4O2 + CH3 => CH3O + C7H14OOH3-4O # Reaction 4842 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-5O2 + CH3 => CH3O + C7H14OOH3-5O # Reaction 4843 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-6O2 + CH3 => CH3O + C7H14OOH3-6O # Reaction 4844 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-7O2 + CH3 => CH3O + C7H14OOH3-7O # Reaction 4845 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-1O2 + CH3 => CH3O + C7H14OOH4-1O # Reaction 4846 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-2O2 + CH3 => CH3O + C7H14OOH4-2O # Reaction 4847 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-3O2 + CH3 => CH3O + C7H14OOH4-3O # Reaction 4848 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-2O2 + C2H5 => C2H5O + C7H14OOH1-2O # Reaction 4849 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-3O2 + C2H5 => C2H5O + C7H14OOH1-3O # Reaction 4850 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-4O2 + C2H5 => C2H5O + C7H14OOH1-4O # Reaction 4851 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-5O2 + C2H5 => C2H5O + C7H14OOH1-5O # Reaction 4852 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-1O2 + C2H5 => C2H5O + C7H14OOH2-1O # Reaction 4853 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-3O2 + C2H5 => C2H5O + C7H14OOH2-3O # Reaction 4854 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-4O2 + C2H5 => C2H5O + C7H14OOH2-4O # Reaction 4855 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-5O2 + C2H5 => C2H5O + C7H14OOH2-5O # Reaction 4856 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-6O2 + C2H5 => C2H5O + C7H14OOH2-6O # Reaction 4857 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-1O2 + C2H5 => C2H5O + C7H14OOH3-1O # Reaction 4858 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-2O2 + C2H5 => C2H5O + C7H14OOH3-2O # Reaction 4859 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-4O2 + C2H5 => C2H5O + C7H14OOH3-4O # Reaction 4860 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-5O2 + C2H5 => C2H5O + C7H14OOH3-5O # Reaction 4861 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-6O2 + C2H5 => C2H5O + C7H14OOH3-6O # Reaction 4862 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-7O2 + C2H5 => C2H5O + C7H14OOH3-7O # Reaction 4863 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-1O2 + C2H5 => C2H5O + C7H14OOH4-1O # Reaction 4864 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-2O2 + C2H5 => C2H5O + C7H14OOH4-2O # Reaction 4865 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-3O2 + C2H5 => C2H5O + C7H14OOH4-3O # Reaction 4866 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-2O => CH2O + NC5H11CHO + OH # Reaction 4867 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-2O => HO2CH2CHO + C5H11-1 # Reaction 4868 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-3O => C3KET13 + PC4H9 # Reaction 4869 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-3O => C2H4O2H + PC4H9CHO # Reaction 4870 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-4O => NC4KET14 + NC3H7 # Reaction 4871 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-4O => C3H6OOH1-3 + NC3H7CHO # Reaction 4872 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-5O => NC5KET15 + C2H5 # Reaction 4873 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-5O => C4H8OOH1-4 + C2H5CHO # Reaction 4874 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-1O => CH2O + NC5H11CHO + OH # Reaction 4875 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-3O => CH3CHO + PC4H9CHO + OH # Reaction 4876 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-3O => C3KET12 + PC4H9 # Reaction 4877 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-4O => NC4KET13 + NC3H7 # Reaction 4878 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-4O => C3H6OOH2-1 + NC3H7CHO # Reaction 4879 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-5O => NC5KET14 + C2H5 # Reaction 4880 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-5O => C4H8OOH2-4 + C2H5CHO # Reaction 4881 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-6O => C6KET15 + CH3 # Reaction 4882 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH2-6O => C5H10OOH2-5 + CH3CHO # Reaction 4883 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-1O => CH2O + C6H12OOH2-1 # Reaction 4884 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-2O => CH3CHO + PC4H9CHO + OH # Reaction 4885 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-2O => C6KET12 + CH3 # Reaction 4886 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-4O => NC4KET12 + NC3H7 # Reaction 4887 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-4O => C2H5CHO + NC3H7CHO + OH # Reaction 4888 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-5O => NC5KET13 + C2H5 # Reaction 4889 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-5O => C4H8OOH2-1 + C2H5CHO # Reaction 4890 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-6O => C6KET14 + CH3 # Reaction 4891 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-6O => C5H10OOH3-1 + CH3CHO # Reaction 4892 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH3-7O => C6H12OOH3-6 + CH2O # Reaction 4893 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH4-1O => C6H12OOH3-1 + CH2O # Reaction 4894 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH4-2O => C6KET13 + CH3 # Reaction 4895 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH4-2O => CH3CHO + C5H10OOH2-1 # Reaction 4896 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH4-3O => NC5KET12 + C2H5 # Reaction 4897 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH4-3O => C2H5CHO + NC3H7CHO + OH # Reaction 4898 rate-constant: {A: 2.9e+12, b: 0.4, Ea: 1.108e+04} - equation: C7H14OOH1-2O2 + C7H15-1 => C7H15-1O + C7H14OOH1-2O # Reaction 4899 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-3O2 + C7H15-1 => C7H15-1O + C7H14OOH1-3O # Reaction 4900 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-4O2 + C7H15-1 => C7H15-1O + C7H14OOH1-4O # Reaction 4901 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-5O2 + C7H15-1 => C7H15-1O + C7H14OOH1-5O # Reaction 4902 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-1O2 + C7H15-1 => C7H15-1O + C7H14OOH2-1O # Reaction 4903 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-3O2 + C7H15-1 => C7H15-1O + C7H14OOH2-3O # Reaction 4904 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-4O2 + C7H15-1 => C7H15-1O + C7H14OOH2-4O # Reaction 4905 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-5O2 + C7H15-1 => C7H15-1O + C7H14OOH2-5O # Reaction 4906 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-6O2 + C7H15-1 => C7H15-1O + C7H14OOH2-6O # Reaction 4907 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-1O2 + C7H15-1 => C7H15-1O + C7H14OOH3-1O # Reaction 4908 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-2O2 + C7H15-1 => C7H15-1O + C7H14OOH3-2O # Reaction 4909 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-4O2 + C7H15-1 => C7H15-1O + C7H14OOH3-4O # Reaction 4910 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-5O2 + C7H15-1 => C7H15-1O + C7H14OOH3-5O # Reaction 4911 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-6O2 + C7H15-1 => C7H15-1O + C7H14OOH3-6O # Reaction 4912 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-7O2 + C7H15-1 => C7H15-1O + C7H14OOH3-7O # Reaction 4913 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-1O2 + C7H15-1 => C7H15-1O + C7H14OOH4-1O # Reaction 4914 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-2O2 + C7H15-1 => C7H15-1O + C7H14OOH4-2O # Reaction 4915 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-3O2 + C7H15-1 => C7H15-1O + C7H14OOH4-3O # Reaction 4916 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-2O2 + C7H15-2 => C7H15-2O + C7H14OOH1-2O # Reaction 4917 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-3O2 + C7H15-2 => C7H15-2O + C7H14OOH1-3O # Reaction 4918 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-4O2 + C7H15-2 => C7H15-2O + C7H14OOH1-4O # Reaction 4919 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-5O2 + C7H15-2 => C7H15-2O + C7H14OOH1-5O # Reaction 4920 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-1O2 + C7H15-2 => C7H15-2O + C7H14OOH2-1O # Reaction 4921 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-3O2 + C7H15-2 => C7H15-2O + C7H14OOH2-3O # Reaction 4922 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-4O2 + C7H15-2 => C7H15-2O + C7H14OOH2-4O # Reaction 4923 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-5O2 + C7H15-2 => C7H15-2O + C7H14OOH2-5O # Reaction 4924 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-6O2 + C7H15-2 => C7H15-2O + C7H14OOH2-6O # Reaction 4925 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-1O2 + C7H15-2 => C7H15-2O + C7H14OOH3-1O # Reaction 4926 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-2O2 + C7H15-2 => C7H15-2O + C7H14OOH3-2O # Reaction 4927 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-4O2 + C7H15-2 => C7H15-2O + C7H14OOH3-4O # Reaction 4928 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-5O2 + C7H15-2 => C7H15-2O + C7H14OOH3-5O # Reaction 4929 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-6O2 + C7H15-2 => C7H15-2O + C7H14OOH3-6O # Reaction 4930 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-7O2 + C7H15-2 => C7H15-2O + C7H14OOH3-7O # Reaction 4931 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-1O2 + C7H15-2 => C7H15-2O + C7H14OOH4-1O # Reaction 4932 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-2O2 + C7H15-2 => C7H15-2O + C7H14OOH4-2O # Reaction 4933 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-3O2 + C7H15-2 => C7H15-2O + C7H14OOH4-3O # Reaction 4934 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-2O2 + C7H15-3 => C7H15-3O + C7H14OOH1-2O # Reaction 4935 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-3O2 + C7H15-3 => C7H15-3O + C7H14OOH1-3O # Reaction 4936 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-4O2 + C7H15-3 => C7H15-3O + C7H14OOH1-4O # Reaction 4937 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-5O2 + C7H15-3 => C7H15-3O + C7H14OOH1-5O # Reaction 4938 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-1O2 + C7H15-3 => C7H15-3O + C7H14OOH2-1O # Reaction 4939 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-3O2 + C7H15-3 => C7H15-3O + C7H14OOH2-3O # Reaction 4940 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-4O2 + C7H15-3 => C7H15-3O + C7H14OOH2-4O # Reaction 4941 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-5O2 + C7H15-3 => C7H15-3O + C7H14OOH2-5O # Reaction 4942 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-6O2 + C7H15-3 => C7H15-3O + C7H14OOH2-6O # Reaction 4943 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-1O2 + C7H15-3 => C7H15-3O + C7H14OOH3-1O # Reaction 4944 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-2O2 + C7H15-3 => C7H15-3O + C7H14OOH3-2O # Reaction 4945 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-4O2 + C7H15-3 => C7H15-3O + C7H14OOH3-4O # Reaction 4946 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-5O2 + C7H15-3 => C7H15-3O + C7H14OOH3-5O # Reaction 4947 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-6O2 + C7H15-3 => C7H15-3O + C7H14OOH3-6O # Reaction 4948 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-7O2 + C7H15-3 => C7H15-3O + C7H14OOH3-7O # Reaction 4949 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-1O2 + C7H15-3 => C7H15-3O + C7H14OOH4-1O # Reaction 4950 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-2O2 + C7H15-3 => C7H15-3O + C7H14OOH4-2O # Reaction 4951 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-3O2 + C7H15-3 => C7H15-3O + C7H14OOH4-3O # Reaction 4952 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-2O2 + C7H15-4 => C7H15-4O + C7H14OOH1-2O # Reaction 4953 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-3O2 + C7H15-4 => C7H15-4O + C7H14OOH1-3O # Reaction 4954 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-4O2 + C7H15-4 => C7H15-4O + C7H14OOH1-4O # Reaction 4955 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH1-5O2 + C7H15-4 => C7H15-4O + C7H14OOH1-5O # Reaction 4956 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-1O2 + C7H15-4 => C7H15-4O + C7H14OOH2-1O # Reaction 4957 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-3O2 + C7H15-4 => C7H15-4O + C7H14OOH2-3O # Reaction 4958 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-4O2 + C7H15-4 => C7H15-4O + C7H14OOH2-4O # Reaction 4959 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-5O2 + C7H15-4 => C7H15-4O + C7H14OOH2-5O # Reaction 4960 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH2-6O2 + C7H15-4 => C7H15-4O + C7H14OOH2-6O # Reaction 4961 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-1O2 + C7H15-4 => C7H15-4O + C7H14OOH3-1O # Reaction 4962 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-2O2 + C7H15-4 => C7H15-4O + C7H14OOH3-2O # Reaction 4963 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-4O2 + C7H15-4 => C7H15-4O + C7H14OOH3-4O # Reaction 4964 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-5O2 + C7H15-4 => C7H15-4O + C7H14OOH3-5O # Reaction 4965 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-6O2 + C7H15-4 => C7H15-4O + C7H14OOH3-6O # Reaction 4966 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH3-7O2 + C7H15-4 => C7H15-4O + C7H14OOH3-7O # Reaction 4967 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-1O2 + C7H15-4 => C7H15-4O + C7H14OOH4-1O # Reaction 4968 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-2O2 + C7H15-4 => C7H15-4O + C7H14OOH4-2O # Reaction 4969 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: C7H14OOH4-3O2 + C7H15-4 => C7H15-4O + C7H14OOH4-3O # Reaction 4970 rate-constant: {A: 9.0e+12, b: 0.0, Ea: -1000.0} - equation: CH2CO + PC4H9 <=> C6Y2-1J # Reaction 4971 rate-constant: {A: 1.76e+04, b: 2.48, Ea: 6130.0} - equation: C6Y3-6J <=> C2H5COCH2 + C2H4 # Reaction 4972 rate-constant: {A: 2.34e+17, b: -1.123, Ea: 3.1176e+04} - equation: C6Y3-1J <=> NC3H7CO + C2H4 # Reaction 4973 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 1.8e+04} - equation: C7H14-1 + H <=> C7H131-3 + H2 # Reaction 4974 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C7H14-1 + H <=> C7H131-4 + H2 # Reaction 4975 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C7H14-1 + H <=> C7H131-5 + H2 # Reaction 4976 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C7H14-1 + H <=> C7H131-6 + H2 # Reaction 4977 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C7H14-1 + H <=> C7H131-7 + H2 # Reaction 4978 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C7H14-1 + O <=> C7H131-3 + OH # Reaction 4979 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C7H14-1 + O <=> C7H131-4 + OH # Reaction 4980 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C7H14-1 + O <=> C7H131-5 + OH # Reaction 4981 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C7H14-1 + O <=> C7H131-6 + OH # Reaction 4982 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C7H14-1 + O <=> C7H131-7 + OH # Reaction 4983 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C7H14-1 + OH <=> C7H131-3 + H2O # Reaction 4984 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C7H14-1 + OH <=> C7H131-4 + H2O # Reaction 4985 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C7H14-1 + OH <=> C7H131-5 + H2O # Reaction 4986 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C7H14-1 + OH <=> C7H131-6 + H2O # Reaction 4987 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C7H14-1 + OH <=> C7H131-7 + H2O # Reaction 4988 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C7H14-1 + O2 <=> C7H131-3 + HO2 # Reaction 4989 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C7H14-1 + O2 <=> C7H131-4 + HO2 # Reaction 4990 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C7H14-1 + O2 <=> C7H131-5 + HO2 # Reaction 4991 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C7H14-1 + O2 <=> C7H131-6 + HO2 # Reaction 4992 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C7H14-1 + O2 <=> C7H131-7 + HO2 # Reaction 4993 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C7H14-1 + HO2 <=> C7H131-3 + H2O2 # Reaction 4994 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-1 + HO2 <=> C7H131-4 + H2O2 # Reaction 4995 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-1 + HO2 <=> C7H131-5 + H2O2 # Reaction 4996 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-1 + HO2 <=> C7H131-6 + H2O2 # Reaction 4997 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-1 + HO2 <=> C7H131-7 + H2O2 # Reaction 4998 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-1 + CH3 <=> C7H131-3 + CH4 # Reaction 4999 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C7H14-1 + CH3 <=> C7H131-4 + CH4 # Reaction 5000 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C7H14-1 + CH3 <=> C7H131-5 + CH4 # Reaction 5001 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C7H14-1 + CH3 <=> C7H131-6 + CH4 # Reaction 5002 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C7H14-1 + CH3 <=> C7H131-7 + CH4 # Reaction 5003 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C7H14-1 + CH3O <=> C7H131-3 + CH3OH # Reaction 5004 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C7H14-1 + CH3O <=> C7H131-4 + CH3OH # Reaction 5005 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C7H14-1 + CH3O <=> C7H131-5 + CH3OH # Reaction 5006 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C7H14-1 + CH3O <=> C7H131-6 + CH3OH # Reaction 5007 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C7H14-1 + CH3O <=> C7H131-7 + CH3OH # Reaction 5008 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C7H14-1 + CH3O2 <=> C7H131-3 + CH3O2H # Reaction 5009 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-1 + CH3O2 <=> C7H131-4 + CH3O2H # Reaction 5010 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-1 + CH3O2 <=> C7H131-5 + CH3O2H # Reaction 5011 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-1 + CH3O2 <=> C7H131-6 + CH3O2H # Reaction 5012 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-1 + CH3O2 <=> C7H131-7 + CH3O2H # Reaction 5013 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-2 + H <=> C7H131-3 + H2 # Reaction 5014 rate-constant: {A: 1.73e+05, b: 2.5, Ea: 2492.0} - equation: C7H14-2 + H <=> C7H132-4 + H2 # Reaction 5015 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C7H14-2 + H <=> C7H132-5 + H2 # Reaction 5016 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C7H14-2 + H <=> C7H132-6 + H2 # Reaction 5017 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C7H14-2 + H <=> C7H132-7 + H2 # Reaction 5018 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C7H14-2 + O <=> C7H131-3 + OH # Reaction 5019 rate-constant: {A: 4.41e+05, b: 2.4, Ea: 3150.0} - equation: C7H14-2 + O <=> C7H132-4 + OH # Reaction 5020 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C7H14-2 + O <=> C7H132-5 + OH # Reaction 5021 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C7H14-2 + O <=> C7H132-6 + OH # Reaction 5022 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C7H14-2 + O <=> C7H132-7 + OH # Reaction 5023 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C7H14-2 + OH <=> C7H131-3 + H2O # Reaction 5024 rate-constant: {A: 3.12e+06, b: 2.0, Ea: -298.0} - equation: C7H14-2 + OH <=> C7H132-4 + H2O # Reaction 5025 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C7H14-2 + OH <=> C7H132-5 + H2O # Reaction 5026 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C7H14-2 + OH <=> C7H132-6 + H2O # Reaction 5027 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C7H14-2 + OH <=> C7H132-7 + H2O # Reaction 5028 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C7H14-2 + O2 <=> C7H131-3 + HO2 # Reaction 5029 rate-constant: {A: 3.3e+12, b: 0.0, Ea: 3.99e+04} - equation: C7H14-2 + O2 <=> C7H132-4 + HO2 # Reaction 5030 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C7H14-2 + O2 <=> C7H132-5 + HO2 # Reaction 5031 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C7H14-2 + O2 <=> C7H132-6 + HO2 # Reaction 5032 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C7H14-2 + O2 <=> C7H132-7 + HO2 # Reaction 5033 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C7H14-2 + HO2 <=> C7H131-3 + H2O2 # Reaction 5034 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-2 + HO2 <=> C7H132-4 + H2O2 # Reaction 5035 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-2 + HO2 <=> C7H132-5 + H2O2 # Reaction 5036 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-2 + HO2 <=> C7H132-6 + H2O2 # Reaction 5037 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-2 + HO2 <=> C7H132-7 + H2O2 # Reaction 5038 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-2 + CH3 <=> C7H131-3 + CH4 # Reaction 5039 rate-constant: {A: 2.21, b: 3.5, Ea: 5675.0} - equation: C7H14-2 + CH3 <=> C7H132-4 + CH4 # Reaction 5040 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C7H14-2 + CH3 <=> C7H132-5 + CH4 # Reaction 5041 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C7H14-2 + CH3 <=> C7H132-6 + CH4 # Reaction 5042 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C7H14-2 + CH3 <=> C7H132-7 + CH4 # Reaction 5043 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C7H14-2 + CH3O <=> C7H131-3 + CH3OH # Reaction 5044 rate-constant: {A: 90.0, b: 3.0, Ea: 1.199e+04} - equation: C7H14-2 + CH3O <=> C7H132-4 + CH3OH # Reaction 5045 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C7H14-2 + CH3O <=> C7H132-5 + CH3OH # Reaction 5046 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C7H14-2 + CH3O <=> C7H132-6 + CH3OH # Reaction 5047 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C7H14-2 + CH3O <=> C7H132-7 + CH3OH # Reaction 5048 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C7H14-2 + CH3O2 <=> C7H131-3 + CH3O2H # Reaction 5049 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-2 + CH3O2 <=> C7H132-4 + CH3O2H # Reaction 5050 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-2 + CH3O2 <=> C7H132-5 + CH3O2H # Reaction 5051 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-2 + CH3O2 <=> C7H132-6 + CH3O2H # Reaction 5052 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-2 + CH3O2 <=> C7H132-7 + CH3O2H # Reaction 5053 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-3 + H <=> C7H133-1 + H2 # Reaction 5054 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C7H14-3 + H <=> C7H132-4 + H2 # Reaction 5055 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C7H14-3 + H <=> C7H133-5 + H2 # Reaction 5056 rate-constant: {A: 3.38e+05, b: 2.4, Ea: 207.0} - equation: C7H14-3 + H <=> C7H133-6 + H2 # Reaction 5057 rate-constant: {A: 1.3e+06, b: 2.4, Ea: 4471.0} - equation: C7H14-3 + H <=> C7H133-7 + H2 # Reaction 5058 rate-constant: {A: 6.65e+05, b: 2.5, Ea: 6756.0} - equation: C7H14-3 + O <=> C7H133-1 + OH # Reaction 5059 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C7H14-3 + O <=> C7H132-4 + OH # Reaction 5060 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C7H14-3 + O <=> C7H133-5 + OH # Reaction 5061 rate-constant: {A: 6.6e+05, b: 2.4, Ea: 1210.0} - equation: C7H14-3 + O <=> C7H133-6 + OH # Reaction 5062 rate-constant: {A: 5.51e+05, b: 2.5, Ea: 2830.0} - equation: C7H14-3 + O <=> C7H133-7 + OH # Reaction 5063 rate-constant: {A: 9.8e+05, b: 2.4, Ea: 4750.0} - equation: C7H14-3 + OH <=> C7H133-1 + H2O # Reaction 5064 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C7H14-3 + OH <=> C7H132-4 + H2O # Reaction 5065 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C7H14-3 + OH <=> C7H133-5 + H2O # Reaction 5066 rate-constant: {A: 2.76e+04, b: 2.6, Ea: -1919.0} - equation: C7H14-3 + OH <=> C7H133-6 + H2O # Reaction 5067 rate-constant: {A: 4.67e+07, b: 1.6, Ea: -35.0} - equation: C7H14-3 + OH <=> C7H133-7 + H2O # Reaction 5068 rate-constant: {A: 5.27e+09, b: 1.0, Ea: 1586.0} - equation: C7H14-3 + O2 <=> C7H133-1 + HO2 # Reaction 5069 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C7H14-3 + O2 <=> C7H132-4 + HO2 # Reaction 5070 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C7H14-3 + O2 <=> C7H133-5 + HO2 # Reaction 5071 rate-constant: {A: 2.2e+12, b: 0.0, Ea: 3.722e+04} - equation: C7H14-3 + O2 <=> C7H133-6 + HO2 # Reaction 5072 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.964e+04} - equation: C7H14-3 + O2 <=> C7H133-7 + HO2 # Reaction 5073 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5.229e+04} - equation: C7H14-3 + HO2 <=> C7H133-1 + H2O2 # Reaction 5074 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-3 + HO2 <=> C7H132-4 + H2O2 # Reaction 5075 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-3 + HO2 <=> C7H133-5 + H2O2 # Reaction 5076 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-3 + HO2 <=> C7H133-6 + H2O2 # Reaction 5077 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-3 + HO2 <=> C7H133-7 + H2O2 # Reaction 5078 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-3 + CH3 <=> C7H133-1 + CH4 # Reaction 5079 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C7H14-3 + CH3 <=> C7H132-4 + CH4 # Reaction 5080 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C7H14-3 + CH3 <=> C7H133-5 + CH4 # Reaction 5081 rate-constant: {A: 3.69, b: 3.3, Ea: 4002.0} - equation: C7H14-3 + CH3 <=> C7H133-6 + CH4 # Reaction 5082 rate-constant: {A: 1.51, b: 3.5, Ea: 5481.0} - equation: C7H14-3 + CH3 <=> C7H133-7 + CH4 # Reaction 5083 rate-constant: {A: 0.452, b: 3.6, Ea: 7154.0} - equation: C7H14-3 + CH3O <=> C7H133-1 + CH3OH # Reaction 5084 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C7H14-3 + CH3O <=> C7H132-4 + CH3OH # Reaction 5085 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C7H14-3 + CH3O <=> C7H133-5 + CH3OH # Reaction 5086 rate-constant: {A: 40.0, b: 2.9, Ea: 8609.0} - equation: C7H14-3 + CH3O <=> C7H133-6 + CH3OH # Reaction 5087 rate-constant: {A: 1.45e+11, b: 0.0, Ea: 4571.0} - equation: C7H14-3 + CH3O <=> C7H133-7 + CH3OH # Reaction 5088 rate-constant: {A: 2.17e+11, b: 0.0, Ea: 6458.0} - equation: C7H14-3 + CH3O2 <=> C7H133-1 + CH3O2H # Reaction 5089 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-3 + CH3O2 <=> C7H132-4 + CH3O2H # Reaction 5090 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-3 + CH3O2 <=> C7H133-5 + CH3O2H # Reaction 5091 rate-constant: {A: 4820.0, b: 2.5, Ea: 1.053e+04} - equation: C7H14-3 + CH3O2 <=> C7H133-6 + CH3O2H # Reaction 5092 rate-constant: {A: 9640.0, b: 2.6, Ea: 1.391e+04} - equation: C7H14-3 + CH3O2 <=> C7H133-7 + CH3O2H # Reaction 5093 rate-constant: {A: 2.38e+04, b: 2.5, Ea: 1.649e+04} - equation: C7H14-1 + H <=> C7H15-1 # Reaction 5094 rate-constant: {A: 1.2e+09, b: 1.3, Ea: 1049.2} - equation: C7H14-1 + H <=> C7H15-2 # Reaction 5095 rate-constant: {A: 6.61e+08, b: 1.4, Ea: -677.6} - equation: C7H14-2 + H <=> C7H15-2 # Reaction 5096 rate-constant: {A: 3.89e+08, b: 1.6, Ea: 579.9} - equation: C7H14-2 + H <=> C7H15-3 # Reaction 5097 rate-constant: {A: 3.89e+08, b: 1.6, Ea: 579.9} - equation: C7H14-3 + H <=> C7H15-3 # Reaction 5098 rate-constant: {A: 3.89e+08, b: 1.6, Ea: 579.9} - equation: C7H14-3 + H <=> C7H15-4 # Reaction 5099 rate-constant: {A: 3.89e+08, b: 1.6, Ea: 579.9} - equation: C7H14-1 + OH <=> C7H14OH-1J2 # Reaction 5100 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C7H14-1 + OH <=> C7H14OH-2J1 # Reaction 5101 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C7H14-2 + OH <=> C7H14OH-2J3 # Reaction 5102 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C7H14-2 + OH <=> C7H14OH-3J2 # Reaction 5103 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C7H14-3 + OH <=> C7H14OH-3J4 # Reaction 5104 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C7H14-3 + OH <=> C7H14OH-4J3 # Reaction 5105 rate-constant: {A: 4.75e+12, b: 0.0, Ea: -782.0} - equation: C7H14OH-1J2 + O2 <=> C7H14OH-1O2-2 # Reaction 5106 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C7H14OH-2J1 + O2 <=> C7H14OH-2O2-1 # Reaction 5107 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C7H14OH-2J3 + O2 <=> C7H14OH-2O2-3 # Reaction 5108 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C7H14OH-3J2 + O2 <=> C7H14OH-3O2-2 # Reaction 5109 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C7H14OH-4J3 + O2 <=> C7H14OH-3O2-4 # Reaction 5110 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C7H14OH-3J4 + O2 <=> C7H14OH-4O2-3 # Reaction 5111 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: C7H14OH-1O2-2 => CH2O + NC5H11CHO + OH # Reaction 5112 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C7H14OH-2O2-1 => CH2O + NC5H11CHO + OH # Reaction 5113 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C7H14OH-2O2-3 => CH3CHO + PC4H9CHO + OH # Reaction 5114 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C7H14OH-3O2-2 => CH3CHO + PC4H9CHO + OH # Reaction 5115 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C7H14OH-3O2-4 => C2H5CHO + NC3H7CHO + OH # Reaction 5116 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C7H14OH-4O2-3 => C2H5CHO + NC3H7CHO + OH # Reaction 5117 rate-constant: {A: 2.5e+10, b: 0.0, Ea: 1.886e+04} - equation: C4H6 + NC3H7 <=> C7H131-3 # Reaction 5118 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C3H5-A + C4H8-1 <=> C7H131-5 # Reaction 5119 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C4H71-4 + C3H6 <=> C7H131-6 # Reaction 5120 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H91-5 + C2H4 <=> C7H131-7 # Reaction 5121 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H81-3 + C2H5 <=> C7H132-4 # Reaction 5122 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C4H71-3 + C3H6 <=> C7H132-6 # Reaction 5123 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H92-5 + C2H4 <=> C7H132-7 # Reaction 5124 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C5H91-3 + C2H4 <=> C7H133-7 # Reaction 5125 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 7800.0} - equation: C7H13-1D3O + OH <=> C7H131-3 + HO2 # Reaction 5126 rate-constant: {A: 6.09e+15, b: -1.1, Ea: 1.572e+04} - equation: C7H13-2D4O + OH <=> C7H132-4 + HO2 # Reaction 5127 rate-constant: {A: 7.03e+15, b: -1.2, Ea: 1.589e+04} - equation: C7H13-3D5O + OH <=> C7H133-5 + HO2 # Reaction 5128 rate-constant: {A: 7.03e+15, b: -1.2, Ea: 1.589e+04} - equation: C7H13-1D3O + CH3O <=> C7H131-3 + CH3O2 # Reaction 5129 rate-constant: {A: 5.95e+17, b: -1.6, Ea: 2.048e+04} - equation: C7H13-2D4O + CH3O <=> C7H132-4 + CH3O2 # Reaction 5130 rate-constant: {A: 6.86e+17, b: -1.8, Ea: 2.065e+04} - equation: C7H13-3D5O + CH3O <=> C7H133-5 + CH3O2 # Reaction 5131 rate-constant: {A: 6.86e+17, b: -1.8, Ea: 2.065e+04} - equation: C7H13-1D3O + C2H5O <=> C7H131-3 + C2H5O2 # Reaction 5132 rate-constant: {A: 3.89e+14, b: -0.7, Ea: 1.833e+04} - equation: C7H13-2D4O + C2H5O <=> C7H132-4 + C2H5O2 # Reaction 5133 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C7H13-3D5O + C2H5O <=> C7H133-5 + C2H5O2 # Reaction 5134 rate-constant: {A: 4.49e+14, b: -0.9, Ea: 1.849e+04} - equation: C7H13-1D3O <=> C2H3CHO + PC4H9 # Reaction 5135 rate-constant: {A: 3.13e+19, b: -1.9, Ea: 1.067e+04} - equation: C7H13-2D4O <=> SC3H5CHO + NC3H7 # Reaction 5136 rate-constant: {A: 3.13e+19, b: -1.9, Ea: 1.067e+04} - equation: C7H13-3D5O <=> C5D2Y1 + C2H5 # Reaction 5137 rate-constant: {A: 3.13e+19, b: -1.9, Ea: 1.067e+04} - equation: C7H14-1 <=> PC4H9 + C3H5-A # Reaction 5138 rate-constant: {A: 3.17e+21, b: -1.62, Ea: 7.533e+04} - equation: C7H14-2 <=> C4H71-3 + NC3H7 # Reaction 5139 rate-constant: {A: 3.735e+21, b: -1.74, Ea: 7.571e+04} - equation: C7H14-3 <=> C5H91-3 + C2H5 # Reaction 5140 rate-constant: {A: 5.947e+21, b: -1.85, Ea: 7.579e+04} - equation: C7H14-3 <=> C6H111-3 + CH3 # Reaction 5141 rate-constant: {A: 5.947e+21, b: -1.85, Ea: 7.679e+04} - equation: C5D2Y1 + O2 <=> C5D2Y1-1R + HO2 # Reaction 5142 rate-constant: {A: 1.2e+05, b: 2.5, Ea: 3.756e+04} - equation: C5D2Y1 + OH <=> C5D2Y1-1R + H2O # Reaction 5143 rate-constant: {A: 2.0e+06, b: 1.8, Ea: -1300.0} - equation: C5D2Y1 + H <=> C5D2Y1-1R + H2 # Reaction 5144 rate-constant: {A: 4.14e+09, b: 1.12, Ea: 2320.0} - equation: C5D2Y1 + O <=> C5D2Y1-1R + OH # Reaction 5145 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: C5D2Y1 + HO2 <=> C5D2Y1-1R + H2O2 # Reaction 5146 rate-constant: {A: 4.09e+04, b: 2.5, Ea: 1.02e+04} - equation: C5D2Y1 + CH3 <=> C5D2Y1-1R + CH4 # Reaction 5147 rate-constant: {A: 2.89e-03, b: 4.62, Ea: 3210.0} - equation: C5D2Y1 + CH3O <=> C5D2Y1-1R + CH3OH # Reaction 5148 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 3300.0} - equation: C5D2Y1 + CH3O2 <=> C5D2Y1-1R + CH3O2H # Reaction 5149 rate-constant: {A: 4.09e+04, b: 2.5, Ea: 1.02e+04} - equation: C5D2Y1-1R => C2H5 + CO + C2H2 # Reaction 5150 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9600.0} - equation: C6D2Y1 + O2 <=> C6D2Y1-1R + HO2 # Reaction 5151 rate-constant: {A: 1.2e+05, b: 2.5, Ea: 3.756e+04} - equation: C6D2Y1 + OH <=> C6D2Y1-1R + H2O # Reaction 5152 rate-constant: {A: 2.0e+06, b: 1.8, Ea: -1300.0} - equation: C6D2Y1 + H <=> C6D2Y1-1R + H2 # Reaction 5153 rate-constant: {A: 4.14e+09, b: 1.12, Ea: 2320.0} - equation: C6D2Y1 + O <=> C6D2Y1-1R + OH # Reaction 5154 rate-constant: {A: 5.94e+12, b: 0.0, Ea: 1868.0} - equation: C6D2Y1 + HO2 <=> C6D2Y1-1R + H2O2 # Reaction 5155 rate-constant: {A: 4.09e+04, b: 2.5, Ea: 1.02e+04} - equation: C6D2Y1 + CH3 <=> C6D2Y1-1R + CH4 # Reaction 5156 rate-constant: {A: 2.89e-03, b: 4.62, Ea: 3210.0} - equation: C6D2Y1 + CH3O <=> C6D2Y1-1R + CH3OH # Reaction 5157 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 3300.0} - equation: C6D2Y1 + CH3O2 <=> C6D2Y1-1R + CH3O2H # Reaction 5158 rate-constant: {A: 4.09e+04, b: 2.5, Ea: 1.02e+04} - equation: C6D2Y1-1R => NC3H7 + CO + C2H2 # Reaction 5159 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 9600.0} - equation: CH2O + CH2CHO <=> C3Y1-3OR # Reaction 5160 rate-constant: {A: 1.23e+11, b: 0.0, Ea: 7800.0} - equation: CH3CHO + CH2CHO <=> C4Y1-3OR # Reaction 5161 rate-constant: {A: 1.0e+11, b: 0.0, Ea: 6000.0} - equation: L-C6H4 + H <=> C-C6H4 + H # Reaction 5162 rate-constant: {A: 1.4e+54, b: -11.7, Ea: 3.45e+04} - equation: C-C6H4 + H <=> C6H5 # Reaction 5163 rate-constant: {A: 2.4e+60, b: -13.66, Ea: 2.95e+04} - equation: L-C6H4 + H <=> C6H5 # Reaction 5164 rate-constant: {A: 1.7e+78, b: -19.72, Ea: 3.14e+04} - equation: C6H3 + H <=> L-C6H4 # Reaction 5165 rate-constant: {A: 3.4e+43, b: -9.01, Ea: 1.212e+04} - equation: L-C6H4 + H <=> C6H3 + H2 # Reaction 5166 rate-constant: {A: 1.33e+06, b: 2.53, Ea: 9240.0} - equation: L-C6H4 + OH <=> C6H3 + H2O # Reaction 5167 rate-constant: {A: 3.1e+06, b: 2.0, Ea: 430.0} - equation: C6H2 + H <=> C6H3 # Reaction 5168 rate-constant: {A: 1.1e+30, b: -4.92, Ea: 1.08e+04} - equation: C6H3 + H <=> C6H2 + H2 # Reaction 5169 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0} - equation: C6H3 + OH <=> C6H2 + H2O # Reaction 5170 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 0.0} - equation: C6H3 + H <=> C4H2 + C2H2 # Reaction 5171 rate-constant: {A: 2.8e+23, b: -2.55, Ea: 1.078e+04} - equation: C6H5 + H (+ M) <=> C6H6 (+ M) # Reaction 5172 type: falloff low-P-rate-constant: {A: 6.6e+75, b: -16.3, Ea: 7000.0} high-P-rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} Troe: {A: 1.0, T3: 0.1, T1: 584.9, T2: 6113.0} efficiencies: {H2: 2.0, CH4: 2.0, H2O: 6.0, CO2: 2.0, CO: 1.5} - equation: FULVENE <=> C6H6 # Reaction 5173 rate-constant: {A: 2.95e+31, b: -4.97, Ea: 8.847e+04} - equation: FULVENE <=> C6H5 + H # Reaction 5174 rate-constant: {A: 8.511e+24, b: -2.505, Ea: 1.1333e+05} - equation: C6H6 + H <=> FULVENE + H # Reaction 5175 rate-constant: {A: 8.43e+32, b: -4.95, Ea: 5.1244e+04} - equation: C6H6 + H <=> C6H5 + H2 # Reaction 5176 rate-constant: {A: 2.5e+14, b: 0.0, Ea: 1.6e+04} - equation: C6H6 + O2 <=> C6H5 + HO2 # Reaction 5177 rate-constant: {A: 6.3e+13, b: 0.0, Ea: 6.0e+04} - equation: C6H6 + O <=> C6H5 + OH # Reaction 5178 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.47e+04} - equation: C6H6 + OH <=> C6H5 + H2O # Reaction 5179 rate-constant: {A: 1.2, b: 4.1, Ea: -301.0} - equation: C6H6 + HO2 <=> C6H5 + H2O2 # Reaction 5180 rate-constant: {A: 5.5e+12, b: 0.0, Ea: 2.89e+04} - equation: C6H6 + CH3 <=> C6H5 + CH4 # Reaction 5181 rate-constant: {A: 7.32e+12, b: 0.0, Ea: 1.892e+04} - equation: C6H5 + CH2O <=> C6H6 + HCO # Reaction 5182 rate-constant: {A: 8.55e+04, b: 2.19, Ea: 38.0} - equation: C6H5 + HCO <=> C6H6 + CO # Reaction 5183 rate-constant: {A: 8.55e+04, b: 2.19, Ea: 38.0} - equation: C6H5 => H + C4H2 + C2H2 # Reaction 5184 rate-constant: {A: 4.3e+12, b: 0.62, Ea: 7.7294e+04} - equation: C6H6 + O <=> C6H5O + H # Reaction 5185 rate-constant: {A: 2.2e+13, b: 0.0, Ea: 4530.0} - equation: C6H6 + OH <=> C6H5OH + H # Reaction 5186 rate-constant: {A: 132.0, b: 3.25, Ea: 5590.0} - equation: C6H5 + HO2 <=> C6H5O + OH # Reaction 5187 rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0} - equation: C6H5 + O2 <=> C6H5O + O # Reaction 5188 rate-constant: {A: 2.6e+13, b: 0.0, Ea: 6120.0} - equation: C6H5 + O2 <=> O-C6H4O2 + H # Reaction 5189 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 8980.0} - equation: C6H5 + O2 <=> C6H5OO # Reaction 5190 rate-constant: {A: 1.86e+13, b: -0.22, Ea: -711.0} - equation: C6H5OO <=> C6H5O + O # Reaction 5191 rate-constant: {A: 1.27e+15, b: -0.246, Ea: 3.8536e+04} - equation: C6H5O + OH <=> C6H5OOH # Reaction 5192 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0} - equation: C6H5O + H (+ M) <=> C6H5OH (+ M) # Reaction 5193 type: falloff low-P-rate-constant: {A: 1.0e+94, b: -21.84, Ea: 1.388e+04} high-P-rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0} Troe: {A: 0.043, T3: 304.2, T1: 6.0e+04, T2: 5896.0} - equation: C6H4OH + H <=> C6H5OH # Reaction 5194 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C6H5OH <=> C5H6 + CO # Reaction 5195 rate-constant: {A: 4.31e+15, b: -0.61, Ea: 7.4115e+04} - equation: C6H5OH + H <=> C6H5O + H2 # Reaction 5196 rate-constant: {A: 1.2e+14, b: 0.0, Ea: 1.24e+04} - equation: C6H5OH + O2 <=> C6H5O + HO2 # Reaction 5197 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 3.88e+04} - equation: C6H5OH + O <=> C6H5O + OH # Reaction 5198 rate-constant: {A: 1.3e+13, b: 0.0, Ea: 2900.0} - equation: C6H5OH + OH <=> C6H5O + H2O # Reaction 5199 rate-constant: {A: 1.4e+08, b: 1.4, Ea: -960.0} - equation: C6H5OH + HO2 <=> C6H5O + H2O2 # Reaction 5200 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.0e+04} - equation: C6H5OH + CH3 <=> C6H5O + CH4 # Reaction 5201 rate-constant: {A: 1.8e+11, b: 0.0, Ea: 7700.0} - equation: C6H5OH + C3H5-A <=> C6H5O + C3H6 # Reaction 5202 rate-constant: {A: 4.9e+11, b: 0.0, Ea: 9400.0} - equation: C6H5OH + C4H5-I <=> C6H5O + C4H6 # Reaction 5203 rate-constant: {A: 4.9e+11, b: 0.0, Ea: 9400.0} - equation: C6H5OH + C6H5 <=> C6H5O + C6H6 # Reaction 5204 rate-constant: {A: 4.9e+12, b: 0.0, Ea: 4400.0} - equation: C6H5OH + C6H5OO <=> C6H5O + C6H5OOH # Reaction 5205 rate-constant: {A: 1.33e+11, b: 0.0, Ea: 1.4e+04} - equation: C6H5OH + H <=> C6H4OH + H2 # Reaction 5206 rate-constant: {A: 1.7e+14, b: 0.0, Ea: 1.6e+04} - equation: C6H5OH + O <=> C6H4OH + OH # Reaction 5207 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.47e+04} - equation: C6H5OH + OH <=> C6H4OH + H2O # Reaction 5208 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 4600.0} - equation: C6H5OH + HO2 <=> C6H4OH + H2O2 # Reaction 5209 rate-constant: {A: 4.0e+11, b: 0.0, Ea: 2.89e+04} - equation: C6H5OH + CH3 <=> C6H4OH + CH4 # Reaction 5210 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 1.5e+04} - equation: C6H5OH + O <=> OC6H4OH + H # Reaction 5211 rate-constant: {A: 1.6e+13, b: 0.0, Ea: 3400.0} - equation: C6H5O <=> CO + C5H5 # Reaction 5212 rate-constant: {A: 2.0e+11, b: 0.0, Ea: 4.39e+04} - equation: C6H5O + H <=> CO + C5H6 # Reaction 5213 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C6H5O + O <=> C5H5 + CO2 # Reaction 5214 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C6H5O + O <=> OC6H4OH # Reaction 5215 rate-constant: {A: 2.6e+10, b: 0.47, Ea: 800.0} - equation: C6H4OH + O2 <=> OC6H4OH + O # Reaction 5216 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 6100.0} - equation: OC6H4OH <=> C5H4OH + CO # Reaction 5217 rate-constant: {A: 7.4e+11, b: 0.0, Ea: 4.38e+04} - equation: C6H5O + O <=> P-C6H4O2 + H # Reaction 5218 rate-constant: {A: 4.25e+13, b: 0.0, Ea: 0.0} - equation: C6H5O + O <=> O-C6H4O2 + H # Reaction 5219 rate-constant: {A: 8.5e+13, b: 0.0, Ea: 0.0} - equation: C6H5O + HO2 <=> O-OC6H5OJ + OH # Reaction 5220 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0} - equation: P-C6H4O2 + H <=> P-OC6H5OJ # Reaction 5221 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 9740.0} - equation: O-C6H4O2 + H <=> O-OC6H5OJ # Reaction 5222 rate-constant: {A: 4.0e+12, b: 0.0, Ea: 6960.0} - equation: O-C6H4O2 <=> C5H4O + CO # Reaction 5223 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 4.0e+04} - equation: P-C6H4O2 <=> C5H4O + CO # Reaction 5224 rate-constant: {A: 3.7e+11, b: 0.0, Ea: 5.9e+04} - equation: P-C6H3O2 + H <=> P-C6H4O2 # Reaction 5225 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: P-C6H4O2 + H <=> P-C6H3O2 + H2 # Reaction 5226 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 8100.0} - equation: P-C6H4O2 + O <=> P-C6H3O2 + OH # Reaction 5227 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 1.47e+04} - equation: P-C6H4O2 + OH <=> P-C6H3O2 + H2O # Reaction 5228 rate-constant: {A: 1.0e+06, b: 2.0, Ea: 4000.0} - equation: P-C6H4O2 + H <=> C5H5O + CO # Reaction 5229 rate-constant: {A: 2.5e+13, b: 0.0, Ea: 4700.0} - equation: P-C6H4O2 + O => 2 CO + C2H2 + CH2CO # Reaction 5230 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5000.0} - equation: P-C6H3O2 + H <=> 2 C2H2 + 2 CO # Reaction 5231 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: P-C6H3O2 + O => C2H2 + HCCO + 2 CO # Reaction 5232 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C5H6 + C2H3 <=> C6H6 + CH3 # Reaction 5233 rate-constant: {A: 2.1e+67, b: -16.08, Ea: 4.246e+04} - equation: C5H5 + H (+ M) <=> C5H6 (+ M) # Reaction 5234 type: falloff low-P-rate-constant: {A: 4.4e+80, b: -18.28, Ea: 1.2994e+04} high-P-rate-constant: {A: 2.6e+14, b: 0.0, Ea: 0.0} Troe: {A: 0.068, T3: 400.7, T1: 4136.0, T2: 5502.0} efficiencies: {H2: 2.0, CO: 1.5, H2O: 6.0, CO2: 2.0, CH4: 2.0} - equation: C5H6 (+ M) <=> C3H4-A + C2H2 (+ M) # Reaction 5235 type: falloff low-P-rate-constant: {A: 1.0e+98, b: -22.25, Ea: 1.263215e+05} high-P-rate-constant: {A: 3.8e+17, b: 0.0, Ea: 1.04e+05} Troe: {A: 0.1441, T3: 5.358, T1: 3284.0, T2: 6.71e+09} efficiencies: {H2: 2.0, CO: 1.5, H2O: 6.0, CO2: 2.0, CH4: 2.0} - equation: C#CCVCCJ + H <=> C5H6 # Reaction 5236 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C5H6 + H <=> C5H5 + H2 # Reaction 5237 rate-constant: {A: 7.2e+13, b: 0.0, Ea: 3500.0} - equation: C5H6 + O2 <=> C5H5 + HO2 # Reaction 5238 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 3.715e+04} - equation: C5H6 + O <=> C5H5 + OH # Reaction 5239 rate-constant: {A: 4.8e+04, b: 2.71, Ea: 1100.0} - equation: C5H6 + OH <=> C5H5 + H2O # Reaction 5240 rate-constant: {A: 3.08e+06, b: 2.0, Ea: 0.0} - equation: C5H6 + HO2 <=> C5H5 + H2O2 # Reaction 5241 rate-constant: {A: 1.1e+04, b: 2.6, Ea: 1.29e+04} - equation: C5H6 + CH3 <=> C5H5 + CH4 # Reaction 5242 rate-constant: {A: 0.18, b: 4.0, Ea: 0.0} - equation: C5H6 + HCO <=> C5H5 + CH2O # Reaction 5243 rate-constant: {A: 1.08e+08, b: 1.9, Ea: 1.6e+04} - equation: C5H6 + C2H3 <=> C5H5 + C2H4 # Reaction 5244 rate-constant: {A: 0.12, b: 4.0, Ea: 0.0} - equation: C5H6 + C3H5-A <=> C5H5 + C3H6 # Reaction 5245 rate-constant: {A: 5.5e+10, b: 0.0, Ea: 5505.0} - equation: C5H6 + C4H5-I <=> C5H5 + C4H6 # Reaction 5246 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: C5H6 + C4H5-N <=> C5H5 + C4H6 # Reaction 5247 rate-constant: {A: 6.0e+12, b: 0.0, Ea: 0.0} - equation: C5H6 + C6H5 <=> C5H5 + C6H6 # Reaction 5248 rate-constant: {A: 0.1, b: 4.0, Ea: 0.0} - equation: C5H6 + C6H5O <=> C5H5 + C6H5OH # Reaction 5249 rate-constant: {A: 3.16e+11, b: 0.0, Ea: 8000.0} - equation: C5H6 + C5H5 <=> C6H6 + C4H5-N # Reaction 5250 rate-constant: {A: 5.0e+09, b: 0.0, Ea: 0.0} - equation: C5H6 + H <=> C2H2 + C3H5-A # Reaction 5251 rate-constant: {A: 1.548e+37, b: -6.18, Ea: 3.289e+04} - equation: C5H6 + H <=> C5H7 # Reaction 5252 rate-constant: {A: 2.4e+73, b: -17.85, Ea: 3.15e+04} - equation: C5H6 + O <=> C5H5O + H # Reaction 5253 rate-constant: {A: 8.9e+12, b: -0.15, Ea: 590.0} duplicate: true - equation: C5H6 + O <=> C5H5O + H # Reaction 5254 rate-constant: {A: 5.6e+12, b: -0.06, Ea: 200.0} duplicate: true - equation: C5H6 + H <=> CVCCJCVC # Reaction 5255 rate-constant: {A: 1.1e+14, b: -0.16, Ea: 3100.0} - equation: C5H6 + OH <=> CVCCJCVCOH # Reaction 5256 rate-constant: {A: 1.1e+13, b: -0.07, Ea: 870.0} - equation: CVCCJCVCOH + O2 <=> HOCVCCVO + CH2CHO # Reaction 5257 rate-constant: {A: 1.2e+36, b: -7.25, Ea: 3.36e+04} - equation: C5H7 <=> CVCCJCVC # Reaction 5258 rate-constant: {A: 3.2e+15, b: 0.0, Ea: 3.95e+04} - equation: CVCCJCVC <=> CVCCVCCJ # Reaction 5259 rate-constant: {A: 5.4e+11, b: -0.7, Ea: 60.0} - equation: CVCCVCCJ + H (+ M) <=> C5H81-3 (+ M) # Reaction 5260 type: falloff low-P-rate-constant: {A: 1.33e+60, b: -12.0, Ea: 5967.8} high-P-rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0} Troe: {A: 0.02, T3: 1096.6, T1: 1096.6, T2: 6859.5} efficiencies: {CO2: 2.0, CO: 1.5, H2: 2.0, H2O: 6.0, AR: 0.7, CH4: 2.0, C2H6: 3.0} - equation: CVCCJCVC + O2 <=> C2H3CHO + CH2CHO # Reaction 5261 rate-constant: {A: 1.2e+36, b: -7.25, Ea: 3.36e+04} - equation: CVCCJCVC + O <=> C2H3CHO + C2H3 # Reaction 5262 rate-constant: {A: 2.0e+14, b: 0.0, Ea: 0.0} - equation: CVCCVCCJ + H <=> C4H5-N + CH3 # Reaction 5263 rate-constant: {A: 2.9e+26, b: -2.18, Ea: 3.677e+04} - equation: C5H81-3 + H <=> CVCCVCCJ + H2 # Reaction 5264 rate-constant: {A: 7.0e+06, b: 2.0, Ea: 5000.0} - equation: C5H81-3 + OH <=> CVCCVCCJ + H2O # Reaction 5265 rate-constant: {A: 7.0e+06, b: 2.0, Ea: 0.0} - equation: C5H81-3 + H <=> C4H6 + CH3 # Reaction 5266 rate-constant: {A: 5.2e+71, b: -16.38, Ea: 5.1e+04} - equation: CVCCVCCJ + OH <=> CVCCVCCOH # Reaction 5267 rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0} - equation: CVCCVCCJ + O2 <=> CH2CHCHCHO + CH2O # Reaction 5268 rate-constant: {A: 8.2e+10, b: 0.18, Ea: 9140.0} - equation: CVCCVCCOH + H <=> C4H6 + CH2OH # Reaction 5269 rate-constant: {A: 2.5e+34, b: -6.12, Ea: 1.625e+04} - equation: C5H7 + O2 <=> OC5H7O # Reaction 5270 rate-constant: {A: 8.9e+24, b: -3.8, Ea: 2.0e+04} - equation: OC5H7O + O2 <=> OC4H6O + HOCO # Reaction 5271 rate-constant: {A: 6.3e+05, b: -7.25, Ea: 3.36e+04} - equation: OC4H6O + H <=> OC4H5O + H2 # Reaction 5272 rate-constant: {A: 2.3e+10, b: 1.05, Ea: 3279.0} - equation: OC4H6O + OH <=> OC4H5O + H2O # Reaction 5273 rate-constant: {A: 3.5e+09, b: 1.18, Ea: -447.0} - equation: OC4H5O + O2 <=> O2CCHOOJ + C2H4 # Reaction 5274 rate-constant: {A: 1.6e+45, b: -9.92, Ea: 2.067e+04} - equation: O2CCHOOJ <=> HOCO + CO2 # Reaction 5275 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 4000.0} - equation: C5H7 + H <=> C5H6 + H2 # Reaction 5276 rate-constant: {A: 3.6e+12, b: 0.0, Ea: 0.0} - equation: C5H7 + O <=> C5H6 + OH # Reaction 5277 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0} - equation: C5H7 + OH <=> C5H6 + H2O # Reaction 5278 rate-constant: {A: 2.4e+13, b: 0.0, Ea: 0.0} - equation: C5H6 + HO2 <=> C5H7 + O2 # Reaction 5279 rate-constant: {A: 1.3e+15, b: -1.07, Ea: 9530.0} - equation: HOCVCCVO + OH <=> HOCVCCJVO + H2O # Reaction 5280 rate-constant: {A: 2.69e+10, b: 0.76, Ea: -340.0} - equation: HOCVCCVO + HO2 <=> HOCVCCJVO + H2O2 # Reaction 5281 rate-constant: {A: 1.0e+12, b: 0.0, Ea: 1.192e+04} - equation: HOCVCCVO + CH3 <=> HOCVCCJVO + CH4 # Reaction 5282 rate-constant: {A: 3.98e+12, b: 0.0, Ea: 8700.0} - equation: HOCVCCVO + O <=> HOCVCCJVO + OH # Reaction 5283 rate-constant: {A: 7.18e+12, b: 0.0, Ea: 1389.0} - equation: HOCVCCVO + O2 <=> HOCVCCJVO + HO2 # Reaction 5284 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 4.07e+04} - equation: HOCVCCVO + H <=> HOCVCCJVO + H2 # Reaction 5285 rate-constant: {A: 2.6e+12, b: 0.0, Ea: 2600.0} - equation: C2H2OH + CO <=> HOCVCCJVO # Reaction 5286 rate-constant: {A: 1.51e+11, b: 0.0, Ea: 4810.0} - equation: C5H5 <=> C3H3 + C2H2 # Reaction 5287 rate-constant: {A: 1.98e+68, b: -15.0, Ea: 1.249e+05} - equation: C#CCVCCJ <=> C5H5 # Reaction 5288 rate-constant: {A: 8.0e+13, b: 0.0, Ea: 3.40583e+04} - equation: C3H3 + C2H2 <=> C#CCVCCJ # Reaction 5289 rate-constant: {A: 4.11e+72, b: -18.2, Ea: 4.54e+04} - equation: C#CCVCCJ + H <=> C5H6-L # Reaction 5290 rate-constant: {A: 1.0e+10, b: 0.0, Ea: 0.0} - equation: C5H6-L + O <=> C#CCVCCJ + OH # Reaction 5291 rate-constant: {A: 1.0e+10, b: 0.0, Ea: 0.0} - equation: C5H6-L + OH <=> C#CCVCCJ + H2O # Reaction 5292 rate-constant: {A: 1.0e+10, b: 0.0, Ea: 0.0} - equation: C5H5 + HO2 <=> C5H5O + OH # Reaction 5293 rate-constant: {A: 6.3e+29, b: -4.69, Ea: 1.165e+04} - equation: C5H5 + O2 <=> C4H4O + HCO # Reaction 5294 rate-constant: {A: 6.0e+18, b: -2.48, Ea: 1.097e+04} - equation: C5H5 + O <=> C4H5-N + CO # Reaction 5295 rate-constant: {A: 3.2e+13, b: -0.17, Ea: 440.0} - equation: C5H5 + O <=> C5H4O + H # Reaction 5296 rate-constant: {A: 5.8e+13, b: -0.02, Ea: 20.0} - equation: C5H5 + OH <=> C5H5OH # Reaction 5297 rate-constant: {A: 6.5e+14, b: -0.85, Ea: -2730.0} duplicate: true - equation: C5H5 + OH <=> C5H5OH # Reaction 5298 rate-constant: {A: 1.1e+43, b: -8.76, Ea: 1.873e+04} duplicate: true - equation: C5H5 + OH <=> C5H5OH # Reaction 5299 rate-constant: {A: 1.1e+59, b: -13.08, Ea: 3.345e+04} duplicate: true - equation: C5H5 + OH <=> C5H4OH + H # Reaction 5300 rate-constant: {A: 3.5e+57, b: -12.18, Ea: 4.835e+04} - equation: C5H5 + OH <=> C4H6 + CO # Reaction 5301 rate-constant: {A: 4.0e+14, b: 0.0, Ea: 4500.0} - equation: C5H4OH + H <=> C5H5OH # Reaction 5302 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C5H5OH + H <=> C5H5O + H2 # Reaction 5303 rate-constant: {A: 4.0e+13, b: 0.0, Ea: 6094.0} - equation: C5H5OH + O <=> C5H5O + OH # Reaction 5304 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 4683.0} - equation: C5H5OH + OH <=> C5H5O + H2O # Reaction 5305 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1697.0} - equation: C5H5OH + HO2 <=> C5H5O + H2O2 # Reaction 5306 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 1.58e+04} - equation: C5H5OH + H <=> C5H4OH + H2 # Reaction 5307 rate-constant: {A: 3.2e+12, b: 0.0, Ea: 0.0} - equation: C5H5OH + O <=> C5H4OH + OH # Reaction 5308 rate-constant: {A: 4.7e+11, b: 0.0, Ea: 0.0} - equation: C5H5OH + OH <=> C5H4OH + H2O # Reaction 5309 rate-constant: {A: 5.5e+12, b: 0.0, Ea: 1731.0} - equation: C5H5OH + HO2 <=> C5H4OH + H2O2 # Reaction 5310 rate-constant: {A: 3600.0, b: 2.55, Ea: 1.0531e+04} - equation: C5H5O <=> C5H4O + H # Reaction 5311 rate-constant: {A: 2.9e+32, b: -6.5, Ea: 2.122e+04} - equation: C5H5O <=> C4H5-N + CO # Reaction 5312 rate-constant: {A: 1.1e+79, b: -19.62, Ea: 6.625e+04} - equation: C5H5O <=> CJVCCVCCVO # Reaction 5313 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 1.4338e+04} - equation: C5H5O + O2 <=> C5H4O + HO2 # Reaction 5314 rate-constant: {A: 6.0e+10, b: 0.0, Ea: 1600.0} - equation: CJVCCVCCVO <=> CVCCVCCJVO # Reaction 5315 rate-constant: {A: 4.3e+11, b: -1.05, Ea: 4118.0} - equation: C4H5-N + CO <=> CVCCVCCJVO # Reaction 5316 rate-constant: {A: 1.51e+11, b: 0.0, Ea: 4810.0} - equation: CJVCCVCCVO <=> C2H2 + CJVCCVO # Reaction 5317 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 4.371e+04} - equation: CJVCCVO <=> C2H3CO # Reaction 5318 rate-constant: {A: 1.4e+09, b: 0.98, Ea: 3.21e+04} - equation: C2H2 + HCO <=> CJVCCVO # Reaction 5319 rate-constant: {A: 7.77e+06, b: 1.41, Ea: 7755.0} - equation: C5H4OH + H <=> C5H4O + H2 # Reaction 5320 rate-constant: {A: 2.1e+13, b: 0.0, Ea: 5.4e+04} - equation: C5H4OH + O2 <=> C5H4O + HO2 # Reaction 5321 rate-constant: {A: 3.0e+13, b: 0.0, Ea: 5000.0} - equation: C5H4O => CO + C2H2 + C2H2 # Reaction 5322 rate-constant: {A: 5.7e+32, b: -6.76, Ea: 6.85e+04} duplicate: true - equation: C5H4O => CO + C2H2 + C2H2 # Reaction 5323 rate-constant: {A: 6.2e+41, b: -7.87, Ea: 9.87e+04} duplicate: true - equation: C5H3O + H <=> C5H4O # Reaction 5324 rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0} - equation: C5H4O + H <=> C5H3O + H2 # Reaction 5325 rate-constant: {A: 2.0e+12, b: 0.0, Ea: 8100.0} - equation: C5H4O + O <=> C5H3O + OH # Reaction 5326 rate-constant: {A: 1.4e+13, b: 0.0, Ea: 1470.0} - equation: C5H4O + OH <=> C5H3O + H2O # Reaction 5327 rate-constant: {A: 1.1e+08, b: 1.42, Ea: 1450.0} - equation: C5H3O => C2H2 + CO + C2H # Reaction 5328 rate-constant: {A: 2.0e+13, b: 0.0, Ea: 5.1e+04} - equation: C5H3O + O2 => CO2 + C2H2 + HCCO # Reaction 5329 rate-constant: {A: 9.7e+58, b: -13.47, Ea: 3.818e+04} - equation: C5H4O + H <=> C4H5-N + CO # Reaction 5330 rate-constant: {A: 2.1e+61, b: -13.27, Ea: 4.081e+04} - equation: C5H4O + O <=> C4H4 + CO2 # Reaction 5331 rate-constant: {A: 1.0e+13, b: 0.0, Ea: 2000.0} - equation: C4H4O + H <=> C3H5-A + CO # Reaction 5332 rate-constant: {A: 6.6e+13, b: -0.02, Ea: 2740.0} duplicate: true - equation: C4H4O + H <=> C3H5-A + CO # Reaction 5333 rate-constant: {A: 5.9e+06, b: 2.0, Ea: 1300.0} duplicate: true - equation: C4H4O + O <=> CH2CHO + HCCO # Reaction 5334 rate-constant: {A: 3.0e+08, b: 1.45, Ea: -860.0} - equation: C4H4O + OH <=> C3H5-A + CO2 # Reaction 5335 rate-constant: {A: 3.0e+12, b: 0.0, Ea: 0.0} - equation: C4H4O + OH => C2H2 + HCCO + H2O # Reaction 5336 rate-constant: {A: 2.02e+13, b: 0.0, Ea: 5933.0}