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Accessibility information
Author(s):   Sun, H.; He, H.Q.; Liu, J.Y.; Li, Z.S.; Pan, X.M.; Wang, R.S.
Title:   Direct ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with the Cl atom
Journal:   CHEMPHYSCHEM
Volume:   9
Page(s):   847 - 853
Year:   2008
Reference type:   Journal article
Squib:   2008SUN/HE847-853

Reaction:   CH3CHF2 + ClHCl + CH3CF2
Reaction order:   2
Temperature:   200 - 2500 K
Rate expression:   4.91x10-12 [cm3/molecule s] (T/298 K)2.33 e-7297 [J/mole]/RT
Category:  Theory
Data type:   Ab initio

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 2.41E-14
300 2.68E-13
400 1.09E-12
500 2.84E-12
600 5.81E-12
700 1.03E-11
800 1.64E-11
900 2.43E-11
1000 3.43E-11
1100 4.64E-11
1200 6.07E-11
1300 7.74E-11
1400 9.65E-11
1500 1.18E-10
1600 1.42E-10
1700 1.69E-10
1800 1.99E-10
1900 2.32E-10
2000 2.67E-10
2100 3.06E-10
2200 3.47E-10
2300 3.92E-10
2400 4.40E-10
2500 4.91E-10