Abstract Ionic liquid (IL) thermodynamic properties, such as density, viscosity and thermal conductivity, are key parameters of chemical engineering processes at variable temperatures and pressures. In this study, we established norm descriptor-based QSPR models to predict IL properties at variable temperatures and pressures. The f-T-P (variation of property f with temperature T and pressure P) models were developed with 9019 data points from 314 ILs for density, 7342 data points from 351 ILs for viscosity and 608 data points from 87 ILs for thermal conductivity. These models had satisfactory statistical results for calculating IL properties. The validation analysis showed that these QSPR models had good stability and predictability. The norm descriptors were universal for predicting IL properties. Moreover, these QSPR models were applied to predict f-T-P model parameters for 16329 ILs generated by combing the cations and anions in the dataset, which might be valuable and further application in chemical engineering.

中文翻译：

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通过定量结构性能关系 (QSPR) 评估不同温度和压力下离子液体的性质

摘要 离子液体 (IL) 的热力学性质，如密度、粘度和热导率，是可变温度和压力下化学工程过程的关键参数。在这项研究中，我们建立了基于规范描述符的 QSPR 模型来预测可变温度和压力下的 IL 特性。fTP（特性 f 随温度 T 和压力 P 的变化）模型是使用来自 314 个密度的 ILs 的 9019 个数据点、来自 351 个 ILs 的粘度数据点的 7342 个数据点和来自 87 个 ILs 的热导率的 608 个数据点开发的。这些模型在计算 IL 特性方面具有令人满意的统计结果。验证分析表明，这些QSPR模型具有良好的稳定性和可预测性。范数描述符对于预测 IL 属性是通用的。而且，