The central goal of this work is to assess the ability of electronic structure calculations with the SMx (x= 12, 8, or D) universal solvent models to predict limiting activity coefficients. As seen in eq. ( ), this is composed of contributions due to the solvation free energy (∆G solv i,j ) and self solvation free energy (∆G self i,i ). We will therefore first assess each individual contribution. We will quantify the agreement between the reference data and the SMx predictions using the root mean square error (RMSE):