三氯苯的标准生成焓和异构化焓

报导了用精密转动弹量热计测定诸三氯苯燃烧热的实验结果,并计算出这些化合物在液态(或固态)和气态下的标准生成焓.同时还计算出它们的异构化焓和原子化热,并与一般公认为比较精确的热化学键能模式的计算值进行比较和讨论.

Standard enthalpies of formation and enthalpies of isomerization of trichlorobenzenes

Enthalpies of combustion at 298.15 K were measured by rotating bomb calorimeter for 1,2,3-trichlorobenzene (1), 1,2,4-trichlorobenzene (2), and 1,3,5-trichlorobenzene (3), and the standard enthalpies of formation derived for these compounds in their liquid or solid and gaseous states. The results of -DHc0 (1 or s), -DHf0 (1 or s), and DHf0(g) in kJ.mol-1 are 2793.76 ?1.63, 66.91 ?1.67, 8.23 ?1.83 for 1; 2810.46 ?1.45, 50.21 ?1.49, 4.85 ?1.57 for 2; 2785.42 ?1.29, 75.25 ?1.34, -2.57 ?1.43 for 3 resp. The enthalpies of isomerization of these compounds in their gaseous states calculated are given: 1 ?2, DHi = 3.38 kJ.mol-1; 1 ?3, DHi = 10.80 kJ.mol-1; 2 ?3, DHi = 7.42 kJ.