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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)OC2H5C2H6 + CO2
Reaction order:   1
Temperature:   500 - 2500 K
Pressure:  1.01E-2 - 101 bar
Rate expression:   4.2x1014 [s-1] e-361079 [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 7.99E-24
600 1.55E-17
700 4.78E-13
800 1.12E-9
900 4.65E-7
1000 5.79E-5
1100 3.00E-3
1200 8.06E-2
1300 1.30E0
1400 1.42E1
1500 1.12E2
1600 6.85E2
1700 3.38E3
1800 1.40E4
1900 4.97E4
2000 1.56E5
2100 4.39E5
2200 1.12E6
2300 2.65E6
2400 5.82E6
2500 1.20E7