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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:   CCl4·CCl3 + Cl
Reaction order:   1
Temperature:   1050 - 2200 K
Rate expression:   6.0x1017 [s-1] (T/298 K)-1.18 e-294731 [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 2.96E2
1100 1.30E3
1200 1.72E4
1300 1.52E5
1400 9.75E5
1500 4.86E6
1600 1.97E7
1700 6.76E7
1800 2.01E8
1900 5.33E8
2000 1.27E9
2100 2.80E9
2200 5.70E9