The Gibbs energy of solvation measures the affinity of a solute for its solvent and is thus a key property for the selection of an appropriate solvent for a chemical synthesis or a separation process. More fundamentally, Gibbs energies of solvation are choice data for developing and benchmarking molecular models predicting solvation effects. The Comprehensive Solvation—CompSol—database was developed with the ambition to propose very large sets of new experimental solvation chemical-potential, solvation entropy, and solvation enthalpy data of pure and mixed components, covering extended temperature ranges. For mixed compounds, the solvation quantities were generated in infinite-dilution conditions by combining experimental values of pure-component and binary-mixture thermodynamic properties. Three types of binary-mixture properties were considered: partition coefficients, activity coefficients at infinite dilution, and Henry’s-law constants. A rigorous methodology was implemented with the aim to select dat...

中文翻译：

---

从实验热力学数据估计溶剂化量：纯溶质和混合溶质综合 CompSol 数据库的开发

吉布斯溶剂化能衡量溶质与其溶剂的亲和力，因此是为化学合成或分离过程选择合适溶剂的关键特性。更重要的是，吉布斯溶剂化能是用于开发和基准化预测溶剂化效应的分子模型的选择数据。综合溶剂化—CompSol—数据库的开发旨在提供大量新的实验溶剂化化学势、溶剂化熵和纯组分和混合组分的溶剂化焓数据，涵盖扩展的温度范围。对于混合化合物，通过结合纯组分和二元混合物热力学性质的实验值，在无限稀释条件下产生溶剂化量。考虑了三种类型的二元混合物特性：分配系数、无限稀释时的活度系数和亨利定律常数。实施了严格的方法，目的是选择数据...