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Accessibility information
Author(s):   Cobos, C. J.; Solter, L.; Tellbach, E.; Troe, J.
Title:   Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane
Journal:   Phys. Chem. Chem. Phys.
Volume:   16
Page(s):   9797 - 9807
Year:   2014
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2014COB/SOL9797-9807

Reaction:   CF3CHFCF3CHF3 + CF3CF
Reaction order:   1
Temperature:   1400 - 2000 K
Rate expression:   4.4x1014 [s-1] e-443494 [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.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1400 1.25E-2
1450 4.65E-2
1500 1.58E-1
1550 4.99E-1
1600 1.46E0
1650 4.02E0
1700 1.04E1
1750 2.55E1
1800 5.94E1
1850 1.32E2
1900 2.83E2
1950 5.81E2
2000 1.15E3