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Author(s):
Park, J.; Wang, L.M.; Lin, M.C.
Title:
Kinetics of phenyl radical reactions with propane, n-butane, n-hexane, and n-octane: Reactivity of C6H5 toward the secondary C-H bond of alkanes
Journal:
Inter. J. Chem. Kinet.
Volume:
36
Page(s):
49 - 56
Year:
2004
Reference type:
Journal article
Squib:
2004PAR/WAN49-56
Reaction:
n-C4H10 + Phenyl → C4H9 (mixture of 2-C4H9 and 1-C4H9) + Benzene
Reaction order:
2
Temperature:
297 - 1046
K
Rate expression:
4.48x10-13 [±2.49x10-14 cm3/molecule s] e-15631 [±1056 J/mole]/RT
Category: Experiment
Data type:
Derived from fitting to a complex mechanism
Pressure dependence:
None reported
Experimental procedure:
Static or low flow - Data taken vs time
Excitation technique:
Flash photolysis (laser or conventional)
Time resolution:
In real time
Analytical technique:
Other (direct)
Comments:
These rate expressions result from combining two setes of data: low-temperature Cavity Ring-Down Spectroscopy and higher-temperature Mass Spectrometry, both with Pulsed Laser Photolysis to generate phenyl radicals. In the MS experiments, pressure was not specified but judging from the general experiment description it is likely to in the P < ca. 3 Torr range. In the CRDS experiments, pressure was 40 Torr. Error limits in Arrhenius expressions are 1 sigma from scattering of the data only.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
| 297 |
7.99E-16 |
| 300 |
8.51E-16 |
| 350 |
2.08E-15 |
| 400 |
4.08E-15 |
| 450 |
6.87E-15 |
| 500 |
1.04E-14 |
| 550 |
1.47E-14 |
| 600 |
1.95E-14 |
| 650 |
2.49E-14 |
| 700 |
3.06E-14 |
| 750 |
3.66E-14 |
| 800 |
4.28E-14 |
| 850 |
4.91E-14 |
| 900 |
5.55E-14 |
| 950 |
6.20E-14 |
| 1000 |
6.84E-14 |
| 1046 |
7.43E-14 |
|