Data selection and estimation of the normal melting temperature of ionic liquids using a method based on homologous cations

摘要

A simple method based on homologous series for data selection and estimation of the normal melting temperature of ionic liquids is proposed. As known, the values of physicochemical properties of compounds having either homologous cations or anions follow a regular smooth pattern, a characteristic that can help in determining the presence of outliers in a set of experimental data. This characteristic of regular smooth pattern also facilitates the calculation of properties of a given substance by knowing the same property for another substance that has the same cation or anion. A selected database of melting temperature data of ionic liquids available in the literature was constructed and used for determining the melting temperature of those substances for which homology was possible to be applied. The results show that the values determined for the normal melting temperature are accurate enough for engineering calculations and that the melting temperature can be predicted with average uncertainty similar to some experimental data.