The SMx universal solvent models, MOSCED, and UNIFAC are all limited in the system they can treat. MOSCED can only be used to model binary systems for which the the molar volume and five molecular descriptors are available for each component. At present, MOSCED parameters are available for 130 organic solvents and water . Efforts have been made to use electronic structure calculations to predict missing MOSCED parameters, including the use of solvation free energy calculations with the SMx universal solvent models . While we would not expect the predicted MOSCED parameters to be as good as those regressed using experimental data, the results of the present study nonetheless would suggest they would yield acceptable results, especially for early stage process conceptualization and design applications. Interestingly, ref. suggested that results obtained with MOSCED parameters predicted using solvation free energy calculations with the SMx universal solvent model were superior to predictions made with SMx alone. This may result from implicitly including reference data by using MOSCED parameters that were regressed using reference data.