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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:   2-Chloroethyl methyl etherCH2=CHOCH3 + HCl
Reaction order:   1
Temperature:   300 - 2000 K
Rate expression:   2.69x1013 [s-1] (T/298 K)0.97 e-244200 [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 8.20E-30
400 4.62E-19
500 1.37E-12
600 2.92E-8
700 3.69E-5
800 7.96E-3
900 5.28E-1
1000 1.53E1
1100 2.42E2
1200 2.44E3
1300 1.73E4
1400 9.33E4
1500 4.04E5
1600 1.46E6
1700 4.57E6
1800 1.26E7
1900 3.14E7
2000 7.14E7