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Accessibility information
Author(s):   Huynh, L.K.; Barriger, K.; Violi, A.
Title:   Kinetics study of the OH plus alkene -> H2O plus alkenyl reaction class
Journal:   J. Phys. Chem. A
Volume:   112
Page(s):   1436 - 1444
Year:   2008
Reference type:   Journal article
Squib:   2008HUY/BAR1436-1444

Reaction:   (E)-2-C4H8 + ·OHH2O + CH3CH=C(·)CH3
Reaction order:   2
Temperature:   250 - 3000 K
Rate expression:   7.81x10-15 [cm3/molecule s] (T/298 K)3.19 e6344 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Comments:   The rate constant of hydrogen abstraction related to nonterminal carbon sites of the double bond of alkene compounds was determined using the reaction class transition state theory (RC-TST) combined with the linear energy relationship (LER) and the barrier height grouping (BHG) approaches.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
250 9.44E-14
300 1.02E-13
400 1.35E-13
500 1.87E-13
600 2.60E-13
700 3.54E-13
800 4.73E-13
900 6.20E-13
1000 7.97E-13
1100 1.01E-12
1200 1.26E-12
1300 1.54E-12
1400 1.87E-12
1500 2.25E-12
1600 2.68E-12
1700 3.16E-12
1800 3.70E-12
1900 4.30E-12
2000 4.97E-12
2100 5.70E-12
2200 6.50E-12
2300 7.38E-12
2400 8.34E-12
2500 9.38E-12
2600 1.05E-11
2700 1.17E-11
2800 1.30E-11
2900 1.44E-11
3000 1.59E-11