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Author(s):   Ahubelem, N; Altarawneh, M.; Dlugogorski, B. Z.
Title:   Dehydrohalogenation of ethyl halides
Journal:   Tetrahedron Lett.
Volume:   55
Page(s):   4860 - 4868
Year:   2014
Reference type:   Journal article
Squib:   2014AHU/ALT4860-4868

Reaction:   Benzene, (2-chloroethyl)-Styrene + HCl
Reaction order:   1
Temperature:   300 - 2000 K
Rate expression:   1.28x1013 [s-1] (T/298 K)0.94 e-228800 [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.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 1.88E-27
400 2.24E-17
500 2.61E-11
600 2.99E-7
700 2.42E-4
800 3.74E-2
900 1.91E0
1000 4.48E1
1100 5.98E2
1200 5.22E3
1300 3.28E4
1400 1.60E5
1500 6.32E5
1600 2.11E6
1700 6.15E6
1800 1.60E7
1900 3.75E7
2000 8.13E7