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Author(s):   Chen, L.; Zhang, B.; Li, X.
Title:   Decomposition pathway and kinetic analysis of perfluoroketone C5F10O
Journal:   J. Phys. D
Volume:   53
Year:   2020
Reference type:   Journal article
Squib:   2020CHE/ZHA415502

Reaction:   CFC + ·F
Reaction order:   1
Temperature:   200 - 5000 K
Rate expression:   1.97x1017 [s-1] (T/298 K)1.50 e-673700 [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. Temperature range of modified Arrhenius expressions given in the article is not stated. The range quoted here is an estimate based on that of Figure 4.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 1.22E-159
300 9.97E-101
400 3.24E-71
500 1.78E-53
600 1.26E-41
700 3.79E-33
800 8.90E-27
900 8.20E-22
1000 7.80E-18
1100 1.42E-14
1200 7.52E-12
1300 1.53E-9
1400 1.46E-7
1500 7.70E-6
1600 2.48E-4
1700 5.34E-3
1800 8.22E-2
1900 9.53E-1
2000 8.68E0
2100 6.43E1
2200 3.98E2
2300 2.11E3
2400 9.77E3
2500 4.01E4
2600 1.48E5
2700 4.96E5
2800 1.53E6
2900 4.38E6
3000 1.17E7
3100 2.93E7
3200 6.97E7
3300 1.57E8
3400 3.38E8
3500 6.98E8
3600 1.39E9
3700 2.65E9
3800 4.91E9
3900 8.82E9
4000 1.54E10
4100 2.62E10
4200 4.35E10
4300 7.06E10
4400 1.12E11
4500 1.75E11
4600 2.67E11
4700 4.01E11
4800 5.93E11
4900 8.63E11
5000 1.24E12