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Title: Kinetics and Mechanisms of the Unimolecular Elimination of 2, 2-Diethoxypropane and 1,1-Diethoxycyclohexane in the Gas Phase: Experimental and Theoretical Study
Journal: J. Phys. Chem. A
Volume: 116
Page(s): 846 - 854
Year: 2012
Book Title: ''
Editor: ''
Publisher: ''
Publisher address: ''
Comments: ''
Reference type: Journal article
Squib: 2012ROS/MAL846-854
Reaction:
(CH3)2C(OC2H5)2 → C2H5OH + Acetone + C2H4
Reaction order:
1
Temperature:
592 - 631
K
Pressure: 5.07E-2 - 8.00E-2 bar
Rate expression:
1.1x1013 [s-1] e-186600 [±800 J/mole]/RT
Category: Experiment
Data type:
Absolute value measured directly
Pressure dependence:
Rate constant is pressure independent
Experimental procedure:
Static or low flow - Data taken vs time
Excitation technique:
Thermal
Time resolution:
By end product analysis
Analytical technique:
GC-MS
Comments:
The rate coefficients were calculated from a pressure increase measured manometrically and by the quantitative GC analysis. The errors were estimated to 90% confidence limits from a least-squares procedure. The uncertainty in the preexponential factor is expressed as follows: log(A/s-1) = (13.04 ± 0.07).
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Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [s-1] |
|---|---|
| 592 | 3.81E-4 |
| 600 | 6.26E-4 |
| 625 | 2.80E-3 |
| 631 | 4.03E-3 |