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©NIST, 2013
Accessibility information
Author(s):   Ding, Y.; Song, L.; Yao, L.; Xia, W.
Title:   Anharmonic Effect in CH3CH2C(=O)OCH2CH3 Decomposition
Journal:   Russ. J. Phys. Chem. A
Volume:   91
Page(s):   2548 - 2557
Year:   2017
Reference type:   Journal article
Squib:   2017DIN/SON2548-2557

Reaction:   C2H5C(O)OC2H5C2H4 + HC(O)OC2H5
Reaction order:   1
Temperature:   1000 - 5000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants for individual temperatures are presented in a tabular and graphical formats.

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