Kinetic and mechanistic study on the  thermal isomerization  of ocimene in the liquid phase | Zendy

He Jindong | Zendy; Xie Meng | Zendy; Tang Xiangyang | Zendy; Qi Xin | Zendy

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Kinetic and mechanistic study on the thermal isomerization of ocimene in the liquid phase

Author(s) -

He Jindong,

Xie Meng,

Tang Xiangyang,

Qi Xin

Publication year - 2012

Publication title -

journal of physical organic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.325

H-Index - 66

eISSN - 1099-1395

pISSN - 0894-3230

DOI - 10.1002/poc.1925

Subject(s) - chemistry , isomerization , kinetic energy , reaction rate constant , activation energy , phase (matter) , atmospheric temperature range , liquid phase , kinetics , thermodynamics , thermal , organic chemistry , catalysis , physics , quantum mechanics

The rate of thermal isomerization of ocimene in the liquid phase has been investigated in the range 90–150 °C. The rate constant for the disappearance of ocimene may be expressed by k = 1. 3 × 10 10 e – 11994. 2/ T (min – 1 ), from which we can infer that the activation energy is 99.7 kJ mol –1 and the pre‐exponential factor is 1.3 × 10 10 min –1 . The half‐life for the disappearance of ocimene may be expressed by t 1/2 = 5. 2 × 10 – 11 e 11994. 2/ T (min). The conclusion has been supported by the study results that the ocimene is safe when temperature is below 100 °C. A discussion of the mechanism concerning the conversion is included. Copyright © 2011 John Wiley & Sons, Ltd.

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