ρ(T, p) model for ionic liquids based on quantitative structure-property relationship calculations

Densities of ionic liquids have been estimated using a quantitative structure-property relationship (QSPR) method that involved 11 molecular descriptors. Density data of 238 experimental data sets for 163 ionic liquids (3020 data points) were used to obtain the QSPR model for a wide range of temperatures and pressures: 258-393 K and 0.09-207 MPa. Results show that the QSPR model to estimate the liquid density (R(2) = 0.9307; AARD = 2.00) is accurate enough and gives lower deviations than any other similar QSPR model currently available in the literature. Copyright (C) 2009 John Wiley & Sons, Ltd.