Abstract
In this communication, a reliable quantitative structure–property relationship (QSPR) model is developed to estimate the speed of sound (SS) in ionic liquids at atmospheric pressure. A data set comprising 446 experimental data values for 41 ionic liquids extracted from the NIST Standard Reference Database was used to develop and evaluate the model (80% as the train set and 20% as the test set). In this study, the effects of both anions and cations are considered in the development of the model. Genetic function approximation (GFA) is applied to select the model parameters (molecular descriptors) and develop a 9-variable multivariate linear QSPR model. Statistical analysis of the performance of the model with respect to the data set indicates an average absolute relative deviation (AARD%) of 0.92, a coefficient of determination (R2) of 0.9862, and a root mean square of error (RMSE) of 18.72 m s−1.
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