Abstract A simple procedure for calculation of solvation enthalpy of compounds containing intramolecular hydrogen bond was developed. This procedure is based on the assumption that fragments of molecules containing intramolecular hydrogen bonds can be express as one group contribution. The proposed approach was verified by determination of the vaporization/sublimation enthalpies of poly-substituted phenols. Vaporization/sublimation enthalpies were obtained as difference between solution and solvation enthalpies in benzene. Solution enthalpies of thirteen compounds in benzene were measured in the present study. The obtained vaporization/sublimation enthalpies are in good agreement with values available in the literature. This promising result makes the solution calorimetry method preferable for quick estimations of enthalpy of phase transition, especially for explosive or compounds of low volatility.

中文翻译：

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溶液量热法测定含分子内氢键的多取代酚的升华和汽化焓

摘要 建立了一种计算含分子内氢键化合物溶剂化焓的简单方法。该过程基于这样的假设，即包含分子内氢键的分子片段可以表示为一组贡献。通过测定多取代酚的蒸发/升华焓来验证所提出的方法。汽化/升华焓作为在苯中的溶液和溶剂化焓之差获得。本研究测量了十三种化合物在苯中的溶液焓。获得的汽化/升华焓与文献中可用的值非常一致。这一有希望的结果使溶液量热法更适合快速估计相变焓，