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Author(s):   Kumaran, S.S.; Su, M.-C.; Lim, K.P.; Michael, J.V.; Wagner, A.F.; Harding, L.B.
Title:   Ab initio calculations and three different applications of unimolecular rate theory for the dissociations of CCl4, CFCl3, CF2Cl2, and CF3Cl
Journal:   J. Phys. Chem.
Volume:   100
Page(s):   7541 - 7549
Year:   1996
Reference type:   Journal article
Squib:   1996KUM/SU7541-7549

Reaction:   CF3Cl·CF3 + ·Cl
Reaction order:   1
Temperature:   1050 - 2200 K
Rate expression:   1.37x1017 [s-1] (T/298 K)-1.10 e-385318 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is high pressure limit

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1050 2.32E-3
1100 1.64E-2
1200 4.99E-1
1300 8.90E0
1400 1.05E2
1500 8.82E2
1600 5.66E3
1700 2.91E4
1800 1.24E5
1900 4.54E5
2000 1.45E6
2100 4.15E6
2200 1.08E7