Herein,
and
are the experimental and calculated values of ILs, respectively.n is the total number of data points.
2.5 Model Application
The stable QSPR model could be used to predict the physical and chemical values of ILs. Based on the ILs studied in this work, 18630 ILs were obtained by combining 207 anions and 90 cations (Supporting Information Table S4). 16329 ILs with optimization structures are used to predict the parameters (α , β , γ and χ ) of thef-T-P model by using the three QSPR models for density, viscosity and thermal conductivity. Based on the experimental values range of density, viscosity and thermal conductivity, we assume that the reasonable range of predicted values is 50 % of the minimum experimental value and 150 % of the maximum experimental value. The coefficients (α , β , γ and χ ) of density, viscosity and thermal conductivity were predicted and provided in Supporting Information Tables S5-S7.