Thermochemistry of Halogen-Substituted Methylbenzenes
Thermochemistry of Halogen-Substituted Methylbenzenes
复制标题
卤素取代的甲苯的热化学
DOI：
10.1021/je500784s
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发表时间：
2015
影响因子：
--
通讯作者：
K. Zherikova
中科院分区：
文献类型：
--
作者：
S. P. Verevkin;A. Sazonova;V. N. Emel’yanenko;D. Zaitsau;M. Varfolomeev;B. Solomonov;K. Zherikova
用蒸发法研究了溴代和碘代甲苯的蒸气压、蒸发、熔化和升华的实验数据，以评价一系列内部自洽的实验测量结果。在这方面研究的化合物包括溴苯、碘苯、1-溴-2-甲基苯、1-溴-3-甲基苯、1-溴-4-甲基苯、1-碘-2-甲基苯、1-碘-3-甲基苯、1-碘-4-甲基苯、1-溴-2，6-二甲基苯、1-碘-2，6-二甲基苯和1-碘-2，4-二甲基苯。用量子化学方法计算了卤代甲苯的气相生成焓。本文提出了一种简单的基团加和法，用于估算卤代甲苯的汽化生成率和气相、液相生成率。
Experimental vapor pressures, vaporization, fusion, and sublimation enthalpies of a number of bromo- and iodo-substituted methylbenzenes have been studied by transpiration method in order to evaluate a series of experimental measurements that appear to be internally self-consistent. The compounds studied in this regard include bromobenzene, iodobenzene, 1-bromo-2-methylbenzene, 1-bromo-3-methylbenzene, 1-bromo-4-methylbenzene, 1-iodo-2-methylbenzene, 1-iodo-3-methylbenzene, 1-iodo-4-methylbenzene, 1-bromo-2,6-dimethylbenzene, 1-iodo-2,6-dimethylbenzene, and 1-iodo-2,4-dimethylbenzene. Gas-phase enthalpies of formation of halogen-substituted methylbenzenes were calculated by using quantum-chemical methods. Simple group-additivity procedures were developed for estimation of vaporization enthalpies and gas-phase and liquid-phase enthalpies of formation of halogen-substituted methylbenzenes.
影响因子：
15
作者：
Wheeler, Steven E.;Houk, Kendall N.;Schleyer, Paul V. R.;Allen, Wesley D.
通讯作者：
Allen, Wesley D.