Benchmark thermochemistry of methylbenzonitriles: Experimental and theoretical study

Ksenia V Zaitseva,Vladimir N Emel Yanenko,Filipe Agapito,A A Pimerzin,Mikhail A Varfolomeev,Sergey P Verevkin

The Journal of Chemical Thermodynamics（2015）

引用 29|浏览30

暂无评分

摘要

•Thermochemistry of 2-, 3-, and 4-methylbenzonitriles was studied.•Enthalpies of formation were measured by combustion calorimetry.•Vaporization enthalpies were derived by transpiration method.•Ab initio enthalpies of formation were in excellent agreement with experiment.•Group-additivity terms for cyano substituted benzenes were proposed.

查看译文

关键词

Methylbenzonitrile,Combustion calorimetry,Transpiration method,Enthalpy of formation,Vapor pressure,Enthalpy of vaporization,Group additivity

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要