Abstract
In this study, the thermal conductivity at different temperatures of ionic liquids has been estimated using a quantitative structure–property relationship (QSPR) model that involved 11 molecular descriptors based on semi-empirical calculations. Thermal conductivity data of ionic liquids (195 experimental data points) were used to obtain the QSPR model for a wide range of temperatures: 273–390K. The correlative and extrapolative capability of the proposed model was examined using a testing data set not used during the correlation step. The results show that the QSPR model to estimate the thermal conductivity is accurate enough and gives lower deviations than any other QSPR models yet available in the literature with AARD=1.97 and R2=0.9919.
Published Version
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