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Castaneda, R.; Iuga, C.; Alvarez-Idaboy, J. R.; Vivier-Bunge, A.|
Rate Constants and Branching Ratios in the Oxidation of Aliphatic Aldehydes by OH Radicals under Atmospheric Conditions
J. Mex. Chem. Soc.
316 - 324
CH3CH2CH2CHO + ·OH → H2O + CH3CH2CH2CO
1.46x10-11 [cm3/molecule s]
Transition state theory
Rate constant is pressure independent
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory with tunneling correction. Rate constants were calculated for a range of temperatures (238 - 338 K); however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants for individual temperatures are presented in a tabular format. The quoted value is for 298 K.
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