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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)OC2H5C2H5OH + CO
Reaction order:   1
Temperature:   500 - 2500 K
Pressure:  1.01E-2 - 101 bar
Rate expression:   5.11x1014 [s-1] e-309616 [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 2.31E-18
600 5.68E-13
700 4.03E-9
800 3.11E-6
900 5.48E-4
1000 3.44E-2
1100 1.01E0
1200 1.70E1
1300 1.85E2
1400 1.43E3
1500 8.45E3
1600 3.99E4
1700 1.57E5
1800 5.29E5
1900 1.57E6
2000 4.19E6
2100 1.02E7
2200 2.28E7
2300 4.75E7
2400 9.33E7
2500 1.74E8