Abstract Available from literature primary experimental results on temperature dependences of vapour pressures of phthalic, isophthalic, and terephthalic acids have been collected and they have been treated uniformly in order to derive sublimation enthalpies at the reference temperature 298.15 K. In order to evaluate the available experimental data, enthalpies of sublimation of isophthalic and terephthalic acid were obtained from the temperature dependence of vapour pressure measured by the transpiration method. Enthalpies of formation of crystalline isophthalic acid and 4-methylphthalic acid were derived by using combustion calorimetry. Gas phase enthalpies of formation of phthalic acids were calculated by the composite quantum-chemical methods G4 and G3MP2. These values were used for evaluation of experimental results and recommendation of reliable benchmark properties for thermochemical calculations. Mutual interactions of carboxylic substituents in the benzene ring were derived and discussed.

中文翻译：

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邻苯二甲酸的热化学：使用互补的实验和计算方法评估热化学数据

摘要 收集了有关邻苯二甲酸、间苯二甲酸和对苯二甲酸蒸气压的温度依赖性的文献初步实验结果，并对它们进行了均匀处理，以推导出参考温度 298.15 K 下的升华焓。为了评估可用的实验数据，间苯二甲酸和对苯二甲酸的升华焓是通过蒸腾法测量的蒸汽压的温度依赖性获得的。结晶间苯二甲酸和 4-甲基邻苯二甲酸的形成焓是通过使用燃烧量热法得出的。通过复合量子化学方法G4和G3MP2计算邻苯二甲酸的气相形成焓。这些值用于评估实验结果和推荐用于热化学计算的可靠基准特性。推导出并讨论了苯环中羧基取代基的相互作用。