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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:   CF3CHFCF3 → CF3C(:)CF3 + HF
Reaction order:   1
Temperature:   1400 - 2000 K
Rate expression:   5.9x1014 [s-1] e-404166 [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 4.92E-1
1450 1.63E0
1500 4.98E0
1550 1.42E1
1600 3.77E1
1650 9.47E1
1700 2.25E2
1750 5.10E2
1800 1.10E3
1850 2.29E3
1900 4.57E3
1950 8.80E3
2000 1.64E4