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Accessibility information
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:   CH2ClCH2ClCH2=CHCl + HCl
Reaction order:   1
Temperature:   849 - 1064 K
Rate expression:   7.0x1014 [s-1] e-244600 [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 6.26E-1
850 6.52E-1
875 1.75E0
900 4.46E0
925 1.08E1
950 2.49E1
975 5.51E1
1000 1.17E2
1025 2.40E2
1050 4.76E2
1064 6.87E2