Predicting Enthalpy of Vaporization of Ionic Liquids: A Simple Rule for a Complex Property


  • This work has been supported by German Science Foundation (DFG) priority program SPP 1191, as well as by the Research Training Group “New Methods for Sustainability in Catalysis and Technique” (DFG).


A simple additive approach based on the empirical formula has been developed to calculate the enthalpy of vaporization of an ionic liquid, which is separated into a main contribution from the constituent elements (regardless of their position in the cation or anion) and an auxiliary contribution (correction) due to structural peculiarities, such as the presence of CF3 groups or a cyclic structure.