A Collection of Dispersion Induction DI, Electrostatic ES, and Hydrogen Bonding α₁ and β₁ Parameters for 380 Solvents...

The solvent parameters DI, ES, α₁, and β₁ are intended for the description of solute-solvent intermolecular forces, i.e., dispersion-induction, electrostatic, hydrogen-bond donation, and hydrogen-bond acceptance, respectively. An up-to-date collection of these parameters is presented for 380 solvents including green solvents, ionic liquids, and deep eutectic solvents. Their determination for additional solvents requires three commercial indicators, betaine dye B(30), 4-F-phenol, and 4-F-anisole (as well as the refractive index). The chemical significance of these parameters is outlined. Their use in the linear solvation energy relationship P = P° + di DI + e ES + a α₁ + b β₁ for 62 physicochemical properties P (reaction rates, equilibrium constants, and IR, UV, and NMR spectra) yields determination coefficients generally greater than 0.90 and regression coefficients whose sign and relative magnitude provide consistent information on the intermolecular forces acting on these properties.