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Author(s):   Mousavipour, S.H.; Saheb, V.; Pirhadi, F.; Dehbozorgi, M.R.
Title:   Experimental and theoretical study on the kinetics and mechanism of thermal decomposition of 1,2-dichloroethane
Journal:   J. Iran. Chem. Soc.
Volume:   4
Page(s):   279 - 298
Year:   2007
Reference type:   Journal article
Squib:   2007MOU/SAH279-298

Reaction:   CH2ClCH2Cl → CH2CH2Cl + ·Cl
Reaction order:   1
Temperature:   849 - 1064 K
Rate expression:   6.2x1015 [s-1] e-326200 [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 and RRKM.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
849 5.29E-5
850 5.58E-5
875 2.09E-4
900 7.25E-4
925 2.36E-3
950 7.20E-3
975 2.07E-2
1000 5.67E-2
1025 1.48E-1
1050 3.67E-1
1064 6.01E-1