Deep eutectic solvents (DESs) are mixtures of two or more components that have lower melting temperatures compared to their constituting components. DESs possess many advantages, for example, low volatility, low flammability, and low toxicity, which make them promising alternatives to traditional organic solvents. The melting temperature, one of the important physical properties, is of essential importance for industrial applications. In this work, a group and group-interaction contribution method was proposed to estimate the melting temperatures of DESs using an extensive database (1528 DESs, 1541 data points). The average absolute relative deviation (%AARD) between the estimated and experimental values of the melting temperature was 5.67% for binary DESs. Subsequently, this method was also extended to estimate the melting temperature of ternary DESs, with the AARD of 6.13%. The results indicate the high accuracy and broad applicability of the method and pave the way for the rational design of task-specific DESs.

中文翻译：

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估计深共晶溶剂熔化温度的群和群相互作用贡献方法

低共熔溶剂 (DES) 是两种或多种成分的混合物，与它们的组成成分相比，它们具有较低的熔化温度。DESs具有低挥发性、低可燃性和低毒性等诸多优点，使其成为传统有机溶剂的替代品。熔融温度是重要的物理特性之一，对工业应用至关重要。在这项工作中，提出了一种组和组相互作用贡献方法来使用广泛的数据库（1528 个 DES，1541 个数据点）估计 DES 的熔化温度。对于二元 DES，熔化温度的估计值和实验值之间的平均绝对相对偏差 (%AARD) 为 5.67%。随后，该方法还扩展到估计三元DES的熔化温度，AARD为6.13%。结果表明该方法具有较高的准确性和广泛的适用性，为合理设计特定任务的DESs铺平了道路。