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Reaction:   CH₃CH(·)OH → CH₃CHO + H·
Reaction order:   2
Temperature:   800 - 1500 K
Pressure:  1.01E-3 - 101 bar
Rate expression:   2.94x10^-8 [cm³/molecule s] e^{-86953 [J/mole]/RT}
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction rate constants were calculated for wide ranges of temperatures and pressures using master equation modeling and the potential energy surface from the literature. The k(T,p) dependence was parameterized using the Troe format, with Fc = (1 − a) exp(−T/T^∗∗∗) +a exp(−T /T^∗) + exp(−T^∗∗/T ). a, T^∗∗∗, T^∗, and T^∗∗ are 0.187, 65.2 K, 2568 K, and 41226 K.

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Rate constant values calculated from the Arrhenius expression: