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Title: Experimental and ab initio theoretical study of the kinetics of rearrangement of ketene imine to acetonitrile
Journal: J. Phys. Chem.
Volume: 98
Page(s): 13546 - 13555
Year: 1994
Reference type: Journal article
Squib: 1994DOU/BAC13546-13555
Reaction:
CH2=C=NH → CH3CN
Reaction order:
1
Temperature:
1300 - 1600
K
Pressure: 1.60E-3 - 2.00E-2 bar
Rate expression:
2.51x1013 [s-1] e-294332 [±14717 J/mole]/RT
Uncertainty:
3.1600001
Bath gas:
Ar
Category: Experiment
Data type:
High or low pressure extrapolation
Excitation technique:
Thermal
Analytical technique:
Gas chromatography
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [s-1] |
|---|---|
| 1300 | 3.75E1 |
| 1325 | 6.26E1 |
| 1350 | 1.03E2 |
| 1375 | 1.65E2 |
| 1400 | 2.62E2 |
| 1425 | 4.08E2 |
| 1450 | 6.26E2 |
| 1475 | 9.48E2 |
| 1500 | 1.41E3 |
| 1525 | 2.08E3 |
| 1550 | 3.03E3 |
| 1575 | 4.35E3 |
| 1600 | 6.18E3 |