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. 2017 Mar 23;2(3):1146–1155. doi: 10.1021/acsomega.7b00078

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
a

Reaction conditions: estragole 2.0 mmol and estragole/1 ratio of 10 000, solventless, and estragole filtered over aluminum oxide.

b

Standard deviation.