* List of the VOC + OH rate constant * ---------------------------------- * * this file is read up to the keyword END. * Comment line (* as first character) can be placed * everywhere in the file. * * format of the file is free, but first column (chemical formula) * must be separate from the rate data by ":". Data after * the ";" are not read. The rate constant is given using the * following expression : k = A*(T)^n*exp(-E/T). * A,n,E must be given for each species. * * if no activation energy is provided, the value is for 298 K., * except when noted * *********************************************************************** * * alkane * ------ * CH3CH3 : 1.49E-17 2. 499. ; Atkinson 2003 CH3CH2CH3 : 1.65E-17 2. 87. ; Atkinson 2003 CH3CH2CH2CH3 : 1.81E-17 2. -114. ; Atkinson 2003 CH3CH(CH3)CH3 : 1.17E-17 2. -213. ; Atkinson 2003 CH3CH2CH2CH2CH3 : 2.52E-17 2. -158. ; Atkinson 2003 CH3CH(CH3)CH2CH3 : 3.60E-12 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CH3 : 1.86E-17 2. 207. ; Atkinson 2003 CH3CH2CH2CH2CH2CH3 : 2.54E-14 1. 112. ; Atkinson 2003 CH3CH(CH3)CH2CH2CH3 : 5.20E-12 0. 0. ; Atkinson 2003 CH3CH2CH(CH3)CH2CH3 : 5.20E-12 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CH2CH3 : 3.37E-11 0. 809. ; Atkinson 2003 CH3CH(CH3)CH(CH3)CH3 : 1.66E-17 2. -407. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH3 : 1.95E-17 2. -406. ; Atkinson 2003 CH3C(CH3)(CH3)CH2CH2CH3 : 3.40E-12 0. 0. ; Atkinson 1997a CH3CH(CH3)CH2CH(CH3)CH3 : 4.77E-12 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CH(CH3)CH3 : 9.20E-18 2. -459. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH3 : 2.72E-17 2. -361. ; Atkinson 2003 CH3C(CH3)(CH3)CH2CH2CH2CH3 : 4.80E-12 0. 0. ; Atkinson 1997a CH3C(CH3)(CH3)CH2CH(CH3)CH3 : 2.35E-17 2. -140. ; Atkinson 2003 CH3CH(CH3)CH(CH3)CH(CH3)CH3 : 6.60E-12 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)C(CH3)(CH3)CH3 : 1.99E-17 2. 178. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH2CH3 : 2.53E-17 2. -436. ; Atkinson 2003 CH3CH(CH3)CH2CH2CH2CH2CH2CH3 : 1.01E-11 0. 0. ; Atkinson 1997a CH3CH2CH2CH(CH3)CH2CH2CH2CH3 : 9.70E-12 0. 0. ; Atkinson 1997a CH3CH(CH3)CH(CH3)CH2CH(CH3)CH3 : 7.90E-12 0. 0. ; Atkinson 1997a CH3CH2C(CH2CH3)(CH2CH3)CH2CH3 : 4.80E-12 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH3 : 3.17E-17 2. -406. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 : 1.23E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 : 1.32E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 : 1.51E-11 0. 0. ; Atkinson 2003 *C1H2CH2C1H2 : 4.21E-18 2. 454. ; Atkinson 2003 *C1H2CH2CH2C1H2 : 2.10E-17 2. -25. ; Atkinson 2003 *C1H2CH2CH2CH2C1H2 : 2.73E-17 2. -214. ; Atkinson 2003 *C1H2CH2CH2CH2CH2C1H2 : 3.26E-17 2. -262 ; Atkinson 2003 *C1H2CH2CH2CH2CH2CH2C1H2 : 3.99E-17 2. -373 ; Atkinson 2003 *C1H2CH2CH2CH2CH2CH2CH2C1H2 : 5.91E-17 2. -276 ; Atkinson 2003 * * cycloalkane * ------------ * C1H2CH2C1H2 : 6.00E-12 0. 1300. ; Calvert 2007 C1H2CH2CH2C1H2 : 1.11E-11 0. 510. ; Calvert 2007 C1H2CH2CH2CH2C1H2 : 2.20E-11 0. 450. ; Calvert 2007 C1H2CH2CH2CH2CH2C1H2 : 3.00E-11 0. 440. ; Calvert 2007 C1H2CH2CH2CH2CH2CH2C1H2 : 4.00E-11 0. 388. ; Calvert 2007 *methyl-cyclohexane C1H2CH2CH2CH2CH2C1HCH3 : 9.64E-12 0. 0. ; Atkinson 1984b C1H2CH2CH2CH2CH2CH2CH2C1H2 : 5.20E-11 0. 408. ; Donahue 1998 * * aldehyde * --------- * * HCHO : 5.40E-12 1. -135. ; Atkinson 2005 CH3CHO : 4.40E-12 0. -365. ; Atkinson 2005 *CH3CH2CHO : 5.10E-11 0. -405. ; Atkinson 2005 CH3CH2CHO : 4.90E-12 0. -405. ; JPL 10-6 CH3CH2CH2CHO : 6.00E-12 0. -410. ; Atkinson 2005 CH3CH(CH3)CHO : 7.30E-12 0. -390. ; Atkinson 2003 CH3CH2CH2CH2CHO : 9.90E-11 0. -310. ; Atkinson 2003 CH3CH(CH3)CH2CHO : 3.30E-11 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CHO : 4.30E-11 0. -560. ; Atkinson 2003 CH3CH2CH2CH2CH2CHO : 3.30E-11 0. 0. ; Atkinson 2003 CH3CH2CH(CH3)CHO : 3.30E-11 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CH2CHO : 2.10E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH(CH3)CHO : 3.30E-11 0. 0. ; Atkinson 2003 CH3CH2CH(CH3)CH2CHO : 2.90E-11 0. 0. ; Atkinson 2003 CH3CH(CH3)CH2CH2CHO : 2.60E-11 0. 0. ; Atkinson 2003 CH3CH2CH(CH2CH3)CHO : 4.00E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CHO : 3.00E-11 0. 0. ; Atkinson 2003 CH3COCH(C1(CH3)CH3)CH2C1HCH2CHO : 4.50E-12 0. -600. ; Davis 2007 pinonaldehyde * * ketone * --------- * CH3COCH3 : 2.11E-18 2. -10. ; Atkinson 1999 CH3COCH2CH3 : 2.53E-18 2. -503. ; Atkinson 2003 CH3COCH2CH2CH3 : 4.40E-12 0. 0. ; Atkinson 2003 CH3COCH(CH3)CH3 : 1.58E-12 0. -193. ; Atkinson 2003 CH3CH2COCH2CH3 : 2.00E-12 0. 0. ; Atkinson 2003 CH3COCH2CH2CH2CH3 : 9.10E-12 0. 0. ; Atkinson 2003 CH3CH2COCH2CH2CH3 : 6.90E-12 0. 0. ; Atkinson 2003 CH3COCH2CH(CH3)CH3 : 7.90E-13 0. -834. ; Atkinson 2003 CH3COCH2CH2CH2CH2CH3 : 1.10E-11 0. 0. ; Atkinson 2003 CH3COCH2CH2CH(CH3)CH3 : 1.33E-12 0. -649. ; Atkinson 2003 CH3CH(CH3)COCH(CH3)CH3 : 5.00E-12 0. 0. ; Atkinson 2003 CH3COCH2CH2CH2CH2CH2CH3 : 1.10E-11 0. 0. ; Atkinson 2003 CH3COCH2CH2CH2CH2CH2CH2CH3 : 1.20E-11 0. 0. ; Atkinson 2003 CH3CH(CH3)CH2COCH2CH(CH3)CH3 : 2.60E-11 0. 0. ; Atkinson 2003 CH3COCH2CH2CH2CH2CH2CH2CH2CH3 : 1.30E-11 0. 0. ; Atkinson 2003 C1H2CH2COC1H2 : 0.87E-12 0. 0. ; Atkinson 2003 C1H2CH2CH2COC1H2 : 2.90E-11 0. 0. ; Atkinson 2003 C1H2CH2CH2CH2COC1H2 : 6.40E-12 0. 0. ; Atkinson 2003 * * ketene * --------- * CdH2=CdO : 1.79E-11 0. 0. ; Hatakeyama 85 * * alcohol * --------- * * CH3(OH) : 3.10E-12 0. 360. ; Atkinson 2005 CH3CH2(OH) : 4.10E-12 0. 70. ; Atkinson 2005 CH3CH2CH2(OH) : 4.60E-12 0. -70. ; Atkinson 2005 CH3CH(OH)CH3 : 2.60E-12 0. -200. ; Atkinson 2005 CH3CH2CH2CH2(OH) : 5.30E-12 0. -140. ; Atkinson 2005 CH3CH(OH)CH2CH3 : 8.70E-12 0. 0. ; Atkinson 2005 CH3CH(OH)CH(CH3)CH3 : 1.20E-11 0. 0. ; Atkinson 2003 CH3C(OH)(CH3)CH3 : 4.07E-18 2. -321. ; Atkinson 2003 CH3CH2CH2CH2CH2(OH) : 1.10E-11 0. 0. ; Atkinson 2003 CH3CH(OH)CH2CH2CH3 : 1.20E-11 0. 0. ; Atkinson 2003 CH3CH2CH(OH)CH2CH3 : 1.30E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2(OH) : 1.50E-11 0. 0. ; Atkinson 2003 CH3CH(OH)CH2CH2CH2CH3 : 1.20E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2(OH) : 1.40E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CH2CH2CH2(OH) : 1.40E-11 0. 0. ; Atkinson 2003 CH3CH(OH)CH2CH2CH2CH2CH2CH3 : 2.52E-11 0. 0. ; Carter 1999 CH3CH2CH(OH)CH2CH2CH2CH2CH3 : 3.14E-11 0. 0. ; Carter 1999 CH3CH2CH2CH2CH(OH)CH2CH2CH3 : 2.87E-11 0. 0. ; Carter 1999 *C1H2CH2CH2CH(OH)C1H2 : 1.10E-11 0. 0. ; Atkinson 2003 *C1H2CH2CH2CH2CH(OH)C1H2 : 1.90E-11 0. 0. ; Atkinson 2003 * * nitrate * --------- * * CH3(ONO2) : 4.00E-13 0. 845. ; Atkinson 2005 CH3CH2(ONO2) : 6.70E-13 0. 395. ; Atkinson 2005 CH3CH2CH2(ONO2) : 5.80E-13 0. 0. ; Atkinson 2005 CH3CH(ONO2)CH3 : 6.20E-13 0. 230. ; Atkinson 2005 CH3CH2CH2CH2(ONO2) : 1.60E-12 0. 0. ; Atkinson 2005 CH3CH(ONO2)CH2CH3 : 8.60E-13 0. 0. ; Atkinson 2005 CH3CH(ONO2)CH2CH2CH3 : 1.70E-12 0. 0. ; Atkinson 2003 CH3CH2CH(ONO2)CH2CH3 : 1.00E-12 0. 0. ; Atkinson 2003 CH3CH(CH3)CH(ONO2)CH3 : 1.70E-12 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CH2(ONO2) : 0.79E-12 0. 0. ; Atkinson 2003 CH3CH(ONO2)CH2CH2CH2CH3 : 3.00E-12 0. 0. ; Atkinson 2003 CH3CH2CH(ONO2)CH2CH2CH3 : 2.50E-12 0. 0. ; Atkinson 2003 CH3C(ONO2)(CH3)CH2CH2CH3 : 1.60E-12 0. 0. ; Atkinson 2003 CH3CH(ONO2)CH(CH3)CH2CH3 : 2.80E-12 0. 0. ; Atkinson 2003 CH3CH2CH(ONO2)CH2CH2CH2CH3 : 3.40E-12 0. 0. ; Atkinson 2003 CH3CH2CH(ONO2)CH2CH2CH2CH2CH3 : 3.60E-12 0. 0. ; Atkinson 2003 CH3CH(ONO2)CH2(ONO2) : 0.32E-12 0. 0. ; Atkinson 1994 CH3CH(ONO2)CH(ONO2)CH3 : 1.07E-12 0. 0. ; Atkinson 1994 CH3CH2CH(ONO2)CH2(ONO2) : 1.70E-12 0. 0. ; Atkinson 1994 * * carboxylic acid * --------------- * CH3CO(OH) : 8.00E-13 0. 0. ; Atkinson 2005 CH3CH2CO(OH) : 1.20E-12 0. 0. ; Atkinson 2005 * * hydroperoxide * --------------- * CH3OOH : 2.9E-12 0. -190. ; Atkinson 2005 CH3C(OOH)(CH3)CH3 : 3.00E-12 0. 0. ; Atkinson 1994 * * mutifunctional species * ---------------------- * CHOCHO : 1.10E-11 0. 0. ; Atkinson 2005 CH3COCHO : 1.50E-11 0. 0. ; Atkinson 2005 CH3COCOCH3 : 1.40E-18 2. -194. ; Atkinson 1994 CH3COCH2COCH3 : 1.15E-12 0. 0. ; Atkinson 1989 CH3COCH2CH2COCH3 : 1.49E-12 0. -450. ; Atkinson 1989 CHOCH2CH2CH2CHO : 2.38E-11 0. 0. ; Atkinson 1989 CH2(OH)CHO : 8.00E-12 0. 0. ; Karunanandan 2007 CH3COCH2(OH) : 5.98E-12 0. 0. ; Dillon 2006 CH2(OH)CH2(OH) : 7.70E-12 0. 0. ; Atkinson 1989 CH3CH(OH)CH2(OH) : 1.20E-11 0. 0. ; Atkinson 1989 * *CH2(OH)CHO : 1.00E-11 0. 0. ; Atkinson 1999 *CH3COCH2(OH) : 3.00E-12 0. 0. ; Atkinson 2005 * * ketonitrates * ------------- * CH3COCH2(ONO2) : 6.70E-13 0. 0. ; Ricardo, LISA, 2012 CH3COCH(ONO2)CH3 : 10.6E-13 0. 0. ; Ricardo, LISA, 2012 CH3COC(ONO2)(CH3)CH3 : 2.60E-13 0. 0. ; Ricardo, LISA, 2012 CH3COCH2CH2(ONO2) : 31.9E-13 0. 0. ; Ricardo, LISA, 2012 CH3COCH2CH2CH2(ONO2) : 8.20E-13 0. 0. ; Ricardo, LISA, 2012 CH3CH2COCH2CH2(ONO2) : 7.30E-13 0. 0. ; Ricardo, LISA, 2012 * * * alkenes * --------------- * CdH2=CdH2 : 1.96E-12 0. -438. ; Atkinson 2003 CH3CdH=CdH2 : 4.85E-12 0. -504. ; Atkinson 2003 CH3CH2CdH=CdH2 : 6.55E-12 0. -467. ; Atkinson 2003 * cis-CH3CdH=CdHCH3 : 1.10E-11 0. -487. ; Atkinson 2003 * selected value (below) is for trans butene CH3CdH=CdHCH3 : 1.01E-11 0. -550. ; Atkinson 2003 CH3Cd(CH3)=CdH2 : 9.47E-12 0. -504. ; Atkinson 2003 CH3CH2CH2CdH=CdH2 : 3.14E-11 0. 0. ; Atkinson 2003 * cis-CH3CH2CdH=CdHCH3 : 6.50E-11 0. 0. ; Atkinson 2003 * selected value (below) is for trans pentene CH3CH2CdH=CdHCH3 : 6.70E-11 0. 0. ; Atkinson 2003 CH3CH(CH3)CdH=CdH2 : 5.32E-12 0. -533. ; Atkinson 2003 CH3CH2Cd(CH3)=CdH2 : 6.10E-11 0. 0. ; Atkinson 2003 CH3Cd(CH3)=CdHCH3 : 1.92E-11 0. -450. ; Atkinson 2003 CH3CH2CH2CH2CdH=CdH2 : 3.70E-11 0. 0. ; Atkinson 2003 CH3CH2CH2Cd(CH3)=CdH2 : 6.30E-11 0. 0. ; Atkinson 2003 CH3CH2CdH=Cd(CH3)CH3 : 8.90E-11 0. 0. ; Atkinson 2003 CH3CH(CH3)CdH=CdHCH3 : 6.10E-11 0. 0. ; Atkinson 2003 CH3Cd(CH3)=Cd(CH3)CH3 : 1.10E-10 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CdH=CdH2 : 2.80E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CH2CdH=CdH2 : 4.00E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CH2CdH=CdHCH3 : 6.80E-11 0. 0. ; Atkinson 2003 CH3CH2Cd(CH3)=Cd(CH3)CH3 : 1.03E-10 0. 0. ; Atkinson 2003 CH3C(CH3)(CH3)CdH=CdHCH3 : 5.50E-11 0. 0. ; Atkinson 2003 CH3CH2CH2CdH=CdHCH2CH2CH3 : 6.90E-11 0. 0. ; Atkinson 2003 CdH2=CdHCdH=CdH2 : 1.48E-11 0. -448. ; Atkinson 2003 CH3CdH=CdHCdH=CdH2 : 1.01E-10 0. 0. ; Atkinson 2003 CdH2=CdHCH2CdH=CdH2 : 5.30E-11 0. 0. ; Atkinson 2003 CdH2=Cd(CH3)CdH=CdH2 : 2.70E-11 0. -390. ; Atkinson 2003 CdH2=CdHCdH=CdHCH2CH3 : 1.12E-10 0. 0. ; Atkinson 2003 CdH2=CdHCH2CdH=CdHCH3 : 9.10E-11 0. 0. ; Atkinson 2003 CdH2=CdHCH2CH2CdH=CdH2 : 6.20E-11 0. 0. ; Atkinson 2003 CH3CdH=CdHCdH=CdHCH3 : 1.34E-10 0. 0. ; Atkinson 2003 CdH2=Cd(CH3)CH2CdH=CdH2 : 7.90E-11 0. 0. ; Atkinson 2003 CdH2=Cd(CH3)CdH=CdHCH3 : 1.36E-10 0. 0. ; Atkinson 2003 CdH2=CdHCdH=Cd(CH3)CH3 : 1.31E-10 0. 0. ; Atkinson 2003 CdH2=Cd(CH3)Cd(CH3)=CdH2 : 1.22E-10 0. 0. ; Atkinson 2003 CdH2=Cd(CH3)CH2CH2CdH=CdH2 : 9.60E-11 0. 0. ; Atkinson 2003 CdH2=Cd(CH3)CH2CH2Cd(CH3)=CdH2 : 1.20E-10 0. 0. ; Atkinson 2003 CH3Cd(CH3)=CdHCdH=Cd(CH3)CH3 : 2.10E-10 0. 0. ; Atkinson 2003 CH3Cd(CH3)=CdHCH2CH2Cd(CdH=CdH2)=CdH2 : 2.15E-10 0. 0. ; Atkinson 2003 myrcene CH3Cd(CH3)=CdHCH2CdH=Cd(CH3)CdH=CdH2 : 2.52E-10 0. 0. ; Atkinson 2003 ocimene *C1H2CH2CdH=CdHC1H2 : 6.70E-11 0. 0. ; Atkinson 2003 *C1H2CH2CH2CdH=CdHC1H2 : 6.77E-11 0. 0. ; Atkinson 2003 *C1H2CdH=CdHCdH=CdHC1H2 : 1.64E-10 0. 0. ; Atkinson 2003 *C1H2CdH=CdHCH2CdH=Cd1H : 9.95E-11 0. 0. ; Atkinson 2003 *C1H2CH2CH2CH2CdH=CdHC1H2 : 7.40E-11 0. 0. ; Atkinson 2003 *C1H2CdH=CdHCdH=CdHCH2C1H2 : 1.39E-10 0. 0. ; Atkinson 2003 *C1H2CH2CH2CH2CdH=Cd1CH3 : 9.40E-11 0. 0. ; Atkinson 2003 C12HCH2CH(C1(CH3)CH3)CH2CdH=Cd2CH3 : 1.21E-11 0. -436 ; Atkinson 2003 apinene CH3C1(CH3)CH(CH2C12H)CH2CH2Cd2=CdH2 : 1.55E-11 0. -467 ; Atkinson 2003 bpinene CH3Cd1=CdHCH2CH(C2(CH3)CH3)C2HC1H2 : 8.00E-11 0. 0. ; Atkinson 2003 carene CH3Cd1=CdHCH2CH(Cd(CH3)=CdH2)CH2C1H2 : 4.28E-11 0. -401. ; Atkinson 2003 limonene CH3Cd1=CdHCH2CH(CH(CH3)CH3)CdH=Cd1H : 3.13E-10 0. 0. ; Atkinson 2003 a-phellandrene CdH2=Cd1CH2CH2CH(CH(CH3)CH3)CdH=Cd1H : 1.68E-10 0. 0. ; Atkinson 2003 b-phellandrene CdH2=Cd(C1HC2H2)CH2CH2C12CH(CH3)CH3 : 1.17E-10 0. 0. ; Atkinson 2003 sabinene CH3Cd1=CdHCdH=Cd(CH(CH3)CH3)CH2C1H2 : 3.63E-10 0. 0. ; Atkinson 2003 a-terpinene CH3Cd1=CdHCH2Cd(CH(CH3)CH3)=CdHC1H2 : 1.77E-10 0. 0. ; Atkinson 2003 gamma-terpinene CH3C1(CH3)C2HCH2CH2CH(C2H2)Cd1=CdH2 : 5.33E-11 0. 0. ; Atkinson 1990 camphene * * * aromatics * ----------------------- * c1HcHcHcHcHc1H : 2.33E-12 0. 193. ; Atkinson 2003 c1HcHcHcHcHc1CH3 : 1.18E-12 0. -338. ; Atkinson 2003 c1HcHcHcHcHc1CH2CH3 : 7.00E-12 0. 0. ; Atkinson 2003 CH3c1c(CH3)cHcHcHc1H : 1.36E-11 0. 0. ; Atkinson 2003 CH3c1cHc(CH3)cHcHc1H : 2.31E-11 0. 0. ; Atkinson 2003 CH3c1cHcHc(CH3)cHc1H : 1.43E-11 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1CH2CH2CH3 : 5.80E-12 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1CH(CH3)CH3 : 6.30E-12 0. 0. ; Atkinson 2003 CH3c1c(CH2CH3)cHcHcHc1H : 1.19E-11 0. 0. ; Atkinson 2003 CH3c1cHc(CH2CH3)cHcHc1H : 1.86E-11 0. 0. ; Atkinson 2003 CH3c1cHcHc(CH2CH3)cHc1H : 1.18E-11 0. 0. ; Atkinson 2003 CH3c1c(CH3)c(CH3)cHcHc1H : 3.27E-11 0. 0. ; Atkinson 2003 CH3c1c(CH3)cHc(CH3)cHc1H : 3.25E-11 0. 0. ; Atkinson 2003 CH3c1cHc(CH3)cHc(CH3)c1H : 5.67E-11 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1C(CH3)(CH3)CH3 : 4.50E-12 0. 0. ; Atkinson 2003 CH3c1cHcHc(CH(CH3)(CH3))cHc1H : 1.45E-11 0. 0. ; Atkinson 2003 c1HcHcHcHc2CH2CH2CH2c12 : 1.90E-11 0. 0. ; Atkinson 2003 c1HcHcHcHc2CdH=CdHCH2c12 : 7.80E-11 0. 0. ; Atkinson 2003 c1HcHcHcHc2CH2CH2CH2CH2c12 : 3.40E-11 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1CdH=CdH2 : 5.80E-11 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1Cd(CH3)=CdH2 : 5.10E-11 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1CdH=CdHCH3 : 5.70E-11 0. 0. ; Atkinson 2003 c1HcHcHcHcHc1CdH=Cd(CH3)CH3 : 3.16E-11 0. 0. ; Calvert 2002 c1HcHcHcHcHc1CHO : 1.29E-11 0. 0. ; Calvert 2002 CHOc1c(CH3)cHc(CH3)cHc1H : 4.32E-11 0. 0. ; Calvert 2002 CHOc1c(CH3)cHcHc(CH3)c1H : 4.36E-11 0. 0. ; Calvert 2002 CHOc1cHc(CH3)c(CH3)cHc1H : 2.14E-11 0. 0. ; Calvert 2002 c1HcHcHcHcHc1CdH=CdHCHO : 4.80E-11 0. 0. ; Calvert 2002 c1HcHcHcHc2COCdH=CdHCOc12 : 3.00E-12 0. 0. ; Calvert 2002 c1HcHcHcHcHc1(OH) : 1.73E-12 0. -840. ; Calvert 2002 CH3c1cHcHcHcHc1(OH) : 1.70E-12 0. -950. ; Calvert 2002 CH3c1cHc(OH)cHcHc1H : 6.80E-11 0. 0. ; Calvert 2002 CH3c1cHcHc(OH)cHc1H : 5.00E-11 0. 0. ; Calvert 2002 c1HcHcHc(CH3)c(CH3)c1(OH) : 8.02E-11 0. 0. ; Calvert 2002 c1HcHc(CH3)cHc(CH3)c1(OH) : 7.15E-11 0. 0. ; Calvert 2002 c1Hc(CH3)cHcHc(CH3)c1(OH) : 8.00E-11 0. 0. ; Calvert 2002 CH3c1cHcHcHc(CH3)c1(OH) : 6.59E-11 0. 0. ; Calvert 2002 c1HcHc(CH3)c(CH3)cHc1(OH) : 8.14E-11 0. 0. ; Calvert 2002 c1Hc(CH3)cHc(CH3)cHc1(OH) : 1.13E-10 0. 0. ; Calvert 2002 c1Hc(CH3)cHc(CH3)c(CH3)c1(OH) : 1.25E-10 0. 0. ; Calvert 2002 CH3c1cHcHc(CH3)c(CH3)c1(OH) : 1.18E-10 0. 0. ; Calvert 2002 c1HcHcHcHcHc1(NO2) : 6.20E-13 0. 444. ; Calvert 2002 CH3c1cHcHcHc(NO2)c1H : 1.24E-12 0. 0. ; Calvert 2002 c1HcHcHcHc2cHcHcHcHc12 : 1.56E-11 0. -117 ; Atkinson 2003 naphtalene * * * * conjugated unsaturated carbonyl ( >C=C-CO-) * ------------------------------- * CdH2=CdHCHO : 6.55E-12 0. -333. ; Magneron 98 CdH2=Cd(CH3)CHO : 8.00E-12 0. -380. ; Atkinson 2005 CH3CdH=CdHCHO : 5.77E-12 0. -533. ; Magneron 98 CdH2=CdHCOCH3 : 2.60E-12 0. -610. ; Atkinson 2003 CH3CH2CH2CdH=CdHCHO : 4.41E-11 0. 0. ; Atkinson 95 CHOCdH=CdHCHO : 5.21E-11 0. 0. ; Bierbach 94 CHOCdH=CdHCOCH3 : 5.58E-11 0. 0. ; Bierbach 94 CH3COCdH=CdHCOCH3 : 5.30E-11 0. 0. ; Atkinson 94 CHOCdH=CdHCdH=CdHCHO : 7.40E-11 0. 0. ; Klotz 99 CHOCd(CH3)=CdHCdH=CdHCH3 : 1.18E-10 0. 0. ; Klotz 95 CH3COCd(OH)=Cd(OH)COCH3 : 2.70E-10 0. 0. ; Wiesen 95 * * PAN like compound * ----------------- * CdH2=Cd(CH3)CO(OONO2) : 2.9E-11 0. 0. ; Atkinson 2005 * * ether * ---------- * CH3-O-CH3 : 5.7E-12 0. 215. ; Atkinson 2005 CH3-O-CH2CH3 : 6.60E-12 0. 0. ; Starkey 97(NIST) CH3-O-CH2CH2CH2CH3 : 1.48E-11 0. 0. ; Atkinson 94 (SAPRC 99) CH3-O-C(CH3)(CH3)CH3 : 1.58E-20 2.93 -716. ; Bonard 2002 CH3CH2-O-CH2CH3 : 8.91E-18 2. -837. ; Atkinson 2003 CH3CH2CH2-O-CH2CH2CH3 : 1.63E-12 0. -767. ; Mellouki 95 (NIST) CH3CH2CH2CH2-O-CH2CH3 : 6.60E-12 0. -362. ; Teton96 (NIST) CH3C(CH3)(CH3)-O-CH2CH3 : 4.40E-12 0. -210. ; Teton96 (NIST) CH3CH(CH3)-O-CH(CH3)CH3 : 4.13E-12 0. -274. ; Mellouki 95 (NIST) CH3CH2C(CH3)(CH3)-O-CH3 : 6.72E-13 0. -656. ; Teton95 (NIST) CH3CH(CH3)CH2-O-CH(CH3)CH3 : 1.95E-11 0. 0. ; Stemmler 97 (NIST) CH3CH2CH2CH2-O-CH2CH2CH2CH3 : 5.50E-12 0. -502. ; Semadeni 93 (NIST) CH3CH(CH3)CH2-O-CH2CH(CH3)CH3 : 2.61E-11 0. 0. ; Bennett 89 (NIST) CH3C(CH3)(CH3)-O-C(CH3)(CH3)CH3: 3.85E-12 0. 0. ; mean value between (Langer96;Nielsen95) * CH3CH2CH2CH2CH2-O-CH2CH2CH2CH2CH3 : 34.7E-12 0. 0. ; Wallington 88 (SAPRC 99) CH3-O-CH2-O-CH3 : 4.90E-12 0. 0. ; average of various measurements tabulated by Sidebottom 97 (SAPRC99) CH3CH2-O-CH2-O-CH2CH3 : 1.84E-11 0. 0. ; Thüner 99 CH3CH2CH2-O-CH2-O-CH2CH2CH3 : 2.63E-11 0. 0. ; Thüner 99 CH3CH(CH3)-O-CH2-O-CH(CH3)CH3 : 3.93E-11 0. 0. ; Thüner 99 * CH3CH2CH2CH2-O-CH2-O-CH2CH2CH2CH3 : 3.47E-11 0. 0. ; Thüner 99 * CH3CH(CH3)CH2-O-CH2-O-CH2CH(CH3)CH3 : 3.68E-11 0. 0. ; Thüner 99 * CH3CH2CH(CH3)-O-CH2-O-CH(CH3)CH2CH3 : 4.68E-12 0. 0. ; Thüner 99 CH3-O-CH2CH2(OH) : 4.50E-12 0. -325. ; Daguat 88 (SAPRC 99) CH3-O-CH2CH(OH)CH3 : 2.00E-11 0. 0. ; mean values Porter 95 and Aschmann 98(SAPRC 99) CH3CH2-O-CH2CH2(OH) : 1.87E-11 0. 0. ; Daguat 88 (SAPRC 99) CH3CH2-O-CH2CH2CH2(OH) : 2.20E-11 0. 0. ; Daguat 88 (SAPRC 99) CH3-O-CH(CH3)CH2CH2(OH) : 2.36E-11 0. 0. ; Daguat 88 (SAPRC 99) CH3CH2CH2CH2-O-CH2CH2(OH) : 2.57E-11 0. 0. ; mean values Dagaut 88, Stemmler 96, Aschmann 98 (SAPRC 99) CH3CH2CH2CH2-O-CH2CH(OH)CH3 : 3.76E-11 0. 0. ; Aschmann 01 CH3CH2-O-CH2CH2-O-CH2CH2(OH) : 5.72E-11 0. 0. ; Aschmann 01 CH3CH2CH2CH2-O-CH2CH2-O-CH2CH2(OH) : 7.44E-11 0. 0. ; Aschmann 01 * * ester * ---------- * CHO-O-CH3 : 2.27E-13 0. 0. ; Wallington88 (SAPRC) CHO-O-CH2CH3 : 1.02E-12 0. 0. ; Wallington88 (SAPRC) CHO-O-CH2CH2CH3 : 2.38E-12 0. 0. ; Wallington88 (SAPRC) CHO-O-CH(CH3)CH3 : 2.10E-12 0. 0. ; Stemmler 97 CHO-O-CH2CH2CH2CH3 : 3.12E-12 0. 0. ; Wallington88 (SAPRC) CHO-O-C(CH3)(CH3)CH3 : 7.46E-13 0. 0. ; Le Calvé 97 CH3CO-O-CH3 : 5.30E-13 0. 128. ; 96ELB*LEC (from NIST) CH3CO-O-CH2CH3 : 1.60E-12 0. 0. ; Atkinson94 SAPRC CH3CO-O-CH2CH2CH3 : 1.03E-12 0. -370. ; 96ELB*LEC (from NIST) CH3CO-O-CH(CH3)CH3 : 3.01E-13 0. -770. ; 97LEC*LEB2 (from NIST) CH3CO-O-CH2CH2CH2CH3 : 2.10E-12 0. -299. ; 96ELB*LEC (from NIST) CH3CO-O-CH(CH3)CH2CH3 : 7.30E-13 0. -640. ; 97LEC*LEB2 (from NIST) CH3CO-O-CH2CH(CH3)CH3 : 1.09E-12 0. -534. ; 97LEC*LEB2 (from NIST) CH3CO-O-C(CH3)(CH3)CH3 : 2.22E-12 0. 395. ; 97LEC*LEB2 (from NIST) CH3CO-O-CH2CH2CH2CH2CH3 : 2.75E-12 0. -302. ; 96ELB*LEC (from NIST) CH3CO-O-CH(CH3)CH2-O-CH3 : 1.44E-11 0. 0. ; Carter99 (SAPRC) CH3CO-O-CH2CH2-O-COCH3 : 2.36E-12 0. 0. ; Hurley 2007 (@296K) CH3CH2CO-O-CH3 : 1.03E-12 0. 0. ; Wallington88 (SAPRC) CH3CH2CO-O-CH2CH3 : 2.40E-12 0. 0. ; Cometto 2009 CH3CH2CO-O-CH2CH2CH3 : 4.40E-12 0. 0. ; Cometto 2009 CH3CH2CH2CO-O-CH3 : 9.60E-13 0. -380. ; 97LEC*LEB3 (from NIST) CH3CH2CH2CO-O-CH2CH3 : 5.70E-12 0. 0. ; Cometto 2009 CH3CH2CH2CO-O-CH2CH2CH3 : 7.42E-12 0. 0. ; 88WAL*DAG (from NIST) CH3CH2CH2CO-O-CH2CH2CH2CH3 : 1.06E-11 0. 0. ; 88WAL*DAG (from NIST) CH3CH(CH3)CO-O-CH3 : 2.00E-12 0. 0. ; Cometto 2009 CH3CH(CH3)CO-O-CH(CH3)CH3 : 6.50E-12 0. 0. ; 97STE*MEN (from NIST) CH3CH2CH2CH2CO-O-CH3 : 1.37E-12 0. -401. ; 97LEC*LEB3 (from NIST) CH3CH(OH)CO-O-CH3 : 2.76E-12 0. 0. ; Kwok 96 CH3CH(OH)CO-O-CH2CH3 : 3.91E-12 0. 0. ; Kwok 96 CH3-O-COCH2CH2CO-O-CH3 : 1.60E-12 0. 0. ; mean value between Aschmann et Atkinson98,Carter97 SAPRC and Cavalli 01 CH3-O-COCH2CH2CH2CO-O-CH3 : 2.98E-12 0. 0. ; mean value between Aschmann et Atkinson98,Carter97 SAPRC and Cavalli 01 CH3-O-COCH2CH2CH2CH2CO-O-CH3 : 6.95E-12 0. 0. ; Carter97 SAPRC CH3CH(CH3)CH2CO-O-CH(CH3)CH3 : 6.50E-12 0. 0. ; Stemmler 97 CH3CO-O-CH2C(OH)(CH3)CH3 : 9.50E-12 0. 0. ; Stemmler 97 CH3C(CH3)(CH3)CO-O-CH3 : 1.20E-12 0. 0. ; Wallington 01 CH3CO-O-CH2CH2-O-CH2CH3 : 1.06E-11 0. 0. ; Williams 93 CH3CH(CH3)CO-O-CH2CH2-O-CH2CH3 : 1.36E-11 0. 0. ; Williams 93 * * vinyl ester *------------------------------------------ * CH3-O-COCd(CH3)=CdH2 : 1.97E-12 0. -921. ; Blanco 2009 CH3-O-COCH2CH2CH2Cd(CH3)=CdH2 : 1.65E-11 0. -413. ; Blanco 2009 CH3-O-COCH2CH2CH2CdH=CdH2 : 4.40E-13 0. -1117. ; Blanco 2009 CH3CO-O-CdH=CdH2 : 4.06E-12 0. -540. ; Blanco 2009 * * Ludo, 2010: vinyl ether and dihydrofuran *------------------------------------------ * CH3-O-CdH=CdH2 : 6.10E-12 0. -511. ; Thiault 2006 CH3CH2-O-CdH=CdH2 : 1.55E-11 0. -445. ; Thiault 2002 CH3CH2CH2-O-CdH=CdH2 : 9.30E-12 0. -708. ; Thiault 2006 CH3CH2CH2CH2-O-CdH=CdH2 : 1.50E-11 0. -572. ; Thiault 2006 CH3CH(CH3)CH2-O-CdH=CdH2 : 1.60E-11 0. -567. ; Thiault 2006 CH3C(CH3)(CH3)-O-CdH=CdH2 : 1.70E-12 0. -549. ; Thiault 2006 C1H2CdH=Cd(CH3)-O-C1H2 : 2.18E-10 0. 0. ; Martin 2002 * * furans *------------------------------------------ * -O1-CdH=CdHCdH=Cd1H : 4.19E-11 0. 0. ; Bierbach 1992 furan -O1-CdH=CdHCdH=Cd1CH3 : 7.31E-11 0. 0. ; Aschmann 2011 2-methyl furan -O1-CdH=CdHCd(=Cd1H)CH3 : 8.73E-11 0. 0. ; Aschmann 2011 3-methyl furan -O1-CdH=CdHCdH=Cd1CH2CH3 : 1.077E-10 0. 0. ; Bierbach 1992 2-ethyl furan -O1-Cd(CH3)=CdHCdH=Cd1CH3 : 1.25E-10 0. 0. ; Aschmann 2011 2,5-dimethyl furan -O1-CdH=CdHCdH=Cd1CO(OOH) : 4.66E-12 0. 0. ; back reaction (assumed = MCM benzaldehyde) Cd1(OOH)=CdHCdH=CdH-O1- : 3.6E-12 0. 0. ; back reaction (based on MCM benzaldehyde) -O1-CdH=CdHCd(=Cd1H)CO(OOH) : 4.66e-12 0. 0. ; back reaction (assumed = MCM benzaldehyde) -O1-CdH=CdHCd(OOH)=Cd1H : 3.6E-12 0. 0. ; back reaction (based on MCM benzaldehyde) -O1-CdH=CdHCdH=Cd1CHO : 3.51E-11 0. 0. ; Bierbach 1995 2-furaldehyde (furfural) -O1-CdH=CdHCd(=Cd1H)CHO : 4.85E-11 0. 0. ; Bierbach 1995 3-furaldehyde -O1-CdH=CdHCdH=Cd1CH2(OH) : 3.51E-11 0. 0. ; 2-furan methanol; assume as for furfural END ======================================================== Aschmann 2011 : Aschmann, S. 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