Abstract The hydroxy- and methoxy substituted benzaldehydes are the simplest broken bits from the lignin valorization technologies. Comprehensive thermochemical study of these compounds was performed including vapour pressure measurements, combustion and differential scanning calorimetry. A large number of primary experimental results on vapour pressures, phase transitions, and enthalpies of formation have been collected from the literature and evaluated with help of empirical and quantum-chemical methods. The consistent sets of thermodynamic data were utilised for developing the simple GA method for prediction of enthalpies of vaporization and enthalpies of formation of di-substituted benzenes in the gas phase. Parameters of GA procedures are expected to be transferable for prediction of thermochemical properties of poly-hydroxy and poly-methoxy substituted benzenes appearing in reaction products during of the lignin valorization.

中文翻译：

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木质素碎屑的热化学

摘要 羟基和甲氧基取代的苯甲醛是木质素增值技术中最简单的碎片。对这些化合物进行了全面的热化学研究，包括蒸气压测量、燃烧和差示扫描量热法。从文献中收集了大量关于蒸气压、相变和形成焓的初步实验结果，并在经验和量子化学方法的帮助下进行了评估。一致的热力学数据集用于开发简单的 GA 方法，用于预测气相中二取代苯的蒸发焓和形成焓。