NIST Chemical Kinetics Database

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

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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