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Home ©NIST, 2013 Accessibility information |
Title: Theoretical studies on the reactions of acetone with chlorine atom and methyl radical
Journal: Theor. Chem. Acct.
Volume: 119
Page(s): 445 - 451
Year: 2008
Reference type: Journal article
Squib: 2008ZHA/ZHA445-451
Reaction:
(CH3)2CO + ·CH3 → Products
Reaction order:
2
Temperature:
200 - 3000
K
Rate expression:
7.75x10-10 [cm3/molecule s] (T/298 K)5.53 e-33004 [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] |
|---|---|
| 200 | 2.05E-19 |
| 300 | 1.44E-15 |
| 400 | 1.93E-13 |
| 500 | 4.83E-12 |
| 600 | 4.97E-11 |
| 700 | 3.00E-10 |
| 800 | 1.28E-9 |
| 900 | 4.25E-9 |
| 1000 | 1.18E-8 |
| 1100 | 2.87E-8 |
| 1200 | 6.28E-8 |
| 1300 | 1.26E-7 |
| 1400 | 2.36E-7 |
| 1500 | 4.18E-7 |
| 1600 | 7.05E-7 |
| 1700 | 1.14E-6 |
| 1800 | 1.78E-6 |
| 1900 | 2.70E-6 |
| 2000 | 3.98E-6 |
| 2100 | 5.73E-6 |
| 2200 | 8.07E-6 |
| 2300 | 1.12E-5 |
| 2400 | 1.52E-5 |
| 2500 | 2.03E-5 |
| 2600 | 2.68E-5 |
| 2700 | 3.50E-5 |
| 2800 | 4.51E-5 |
| 2900 | 5.75E-5 |
| 3000 | 7.26E-5 |