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Title: Kinetics of Hydrogen Abstraction Reactions of Butene Isomers by OH Radical
Journal: J. Phys. Chem. A
Volume: 114
Page(s): 12088 - 12098
Year: 2010
Reference type: Journal article
Squib: 2010SUN/LAW12088-12098
Reaction:
(E)-2-C4H8 + ·OH → H2O + (E)-CH3CH=CHCH2
Reaction order:
2
Temperature:
300 - 1500
K
Rate expression:
4.41x10-14 [cm3/molecule s] (T/298 K)3.77 e6240 [J/mole]/RT
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure independent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory with tunneling correction.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
|---|---|
| 300 | 5.52E-13 |
| 400 | 8.74E-13 |
| 500 | 1.39E-12 |
| 600 | 2.16E-12 |
| 700 | 3.23E-12 |
| 800 | 4.68E-12 |
| 900 | 6.58E-12 |
| 1000 | 9.01E-12 |
| 1100 | 1.21E-11 |
| 1200 | 1.58E-11 |
| 1300 | 2.04E-11 |
| 1400 | 2.59E-11 |
| 1500 | 3.24E-11 |