Table 7. Rate Constants Fitted to the Simplified Mechanistic Model of Estragole Isomerization at 40 °Ca.
| entry | constant | fitting | s.d.b |
|---|---|---|---|
| 1 | k4 (min–1) | 0.139 | 0.005 |
| 2 | k–4 (L mol–1 min–1) | ≈0 | |
| 3 | k5 (L mol–1 min–1) | 39.87 | 1.63 |
| 4 | k–5 (min–1) | 23.01 | 4.79 |
| 5 | k6 (L mol–1 min–1) | 18.01 | 0.53 |
| 6 | k–6 (min–1) | 129.3 | 10.4 |
| 7 | k7 (L mol–1 min–1) | 1.537 | 0.124 |
| 8 | k–7 (min–1) | 231.0 | 17.4 |
Reaction conditions: estragole 2.0 mmol and estragole/1 ratio of 10 000, solventless, and estragole filtered over aluminum oxide.
Standard deviation.