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Title: Transition-state-theory calculations for reactions of OH with haloalkanes
Journal: J. Phys. Chem.
Volume: 91
Page(s): 162 - 170
Year: 1987
Reference type: Journal article
Squib: 1987COH/BEN162-170
Reaction:
CHCl3 + ·OH → ·CCl3 + H2O
Reaction order:
2
Temperature:
298 - 2000
K
Rate expression:
1.76x10-13 [cm3/molecule s] (T/298 K)1.70 e-1413 [J/mole]/RT
Category: Theory
Data type:
Transition state theory
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
|---|---|
| 298 | 9.95E-14 |
| 300 | 1.01E-13 |
| 400 | 1.90E-13 |
| 500 | 3.02E-13 |
| 600 | 4.36E-13 |
| 700 | 5.90E-13 |
| 800 | 7.63E-13 |
| 900 | 9.54E-13 |
| 1000 | 1.16E-12 |
| 1100 | 1.39E-12 |
| 1200 | 1.63E-12 |
| 1300 | 1.89E-12 |
| 1400 | 2.16E-12 |
| 1500 | 2.45E-12 |
| 1600 | 2.76E-12 |
| 1700 | 3.07E-12 |
| 1800 | 3.41E-12 |
| 1900 | 3.75E-12 |
| 2000 | 4.11E-12 |