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Title: High pressure pyrolysis of toluene. 1. Experiments and modeling of toluene decomposition
Journal: J. Phys. Chem. A
Volume: 110
Page(s): 9388 - 9399
Year: 2006
Reference type: Journal article
Squib: 2006SIV/TRA9388-9399
Reaction:
Toluene → ·CH3 + Phenyl
Reaction order:
1
Temperature:
1027 - 1897
K
Rate expression:
2.54x1019 [s-1] (T/298 K)-2.53 e-437228 [J/mole]/RT
Category: Theory
Data type:
Derived from detailed balance/reverse rate
Pressure dependence:
Rate constant is high pressure limit
Comments:
Rate constant values were determined from combinig theoretical rate constanst for the reverse reaction and critically evaluated value of reaction enthalpy.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [s-1] |
|---|---|
| 1027 | 6.42E-5 |
| 1050 | 1.86E-4 |
| 1100 | 1.61E-3 |
| 1150 | 1.15E-2 |
| 1200 | 6.96E-2 |
| 1250 | 3.62E-1 |
| 1300 | 1.65E0 |
| 1350 | 6.73E0 |
| 1400 | 2.47E1 |
| 1450 | 8.24E1 |
| 1500 | 2.53E2 |
| 1550 | 7.23E2 |
| 1600 | 1.93E3 |
| 1650 | 4.82E3 |
| 1700 | 1.14E4 |
| 1750 | 2.57E4 |
| 1800 | 5.51E4 |
| 1850 | 1.13E5 |
| 1897 | 2.15E5 |