Computation of normal melting temperature of ionic liquids using a group contribution method

In this communication, a comprehensive literature survey has been performed to provide a data set for the normal melting temperature (Tm) of 799 ionic liquids (ILs) from various 143 references. Using this data set, an accurate group contribution method has been developed to estimate the Tm of ILs. The model employs a total of 80 sub-structures to predict the Tm of ILs. To better distinct the effects of anion and cation on the latter property, 31 sub-structures related to chemical structure of anion, and 49 substructures related to the chemical structure of cation have been implemented. The results of this method show a low average relative deviation (AARD%) of 5.82% for a data set including 799 ILs.

► An extensive database for normal melting point of ionic liquids is collected from 143 references. ► Ionic liquids within the database are composed of 60 unique anions and 368 unique cations. ► A group contribution model is developed and validated using normal melting temperature data of 799 ILs.