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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)OC2H5CH2=CHCHO + H2
Reaction order:   1
Temperature:   500 - 2500 K
Pressure:  1.01E-2 - 101 bar
Rate expression:   8.35x1013 [s-1] e-489528 [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 6.05E-38
600 2.02E-29
700 2.47E-23
800 9.11E-19
900 3.24E-15
1000 2.25E-12
1100 4.75E-10
1200 4.11E-8
1300 1.79E-6
1400 4.55E-5
1500 7.50E-4
1600 8.72E-3
1700 7.60E-2
1800 5.20E-1
1900 2.91E0
2000 1.37E1
2100 5.57E1
2200 1.99E2
2300 6.37E2
2400 1.85E3
2500 4.94E3