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©NIST, 2013
Accessibility information
Author(s):   Balla, R.; Muthaiah, B.; Arathala, P.
Title:   Experimental and RRKM Investigations on the Degradation of Ethyl Formate
Journal:   ChemistrySelect
Volume:   2
Page(s):   11603 - 11614
Year:   2017
Reference type:   Journal article
Squib:   2017BAL/MUT11603-11614

Reaction:   HC(O)OC2H5 → Products
Reaction order:   1
Temperature:   500 - 2500 K
Pressure:  1.01E-2 - 101 bar
Rate expression:   3.61x1013 [s-1] e-223426 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
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 and RRKM. Rate constants were calculated for wide ranges of temperatures and pressures; however, only the high-pressure-limit rate expressions are given in the article. Prssure-dependent data are presented in tabular and graphical formats.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
500 1.65E-10
600 1.28E-6
700 7.68E-4
800 9.32E-2
900 3.89E0
1000 7.71E1
1100 8.87E2
1200 6.80E3
1300 3.80E4
1400 1.67E5
1500 5.99E5
1600 1.83E6
1700 4.93E6
1800 1.19E7
1900 2.60E7
2000 5.28E7
2100 1.00E8
2200 1.79E8
2300 3.04E8
2400 4.95E8
2500 7.75E8