All of the SMx computed self-solvation free energies (∆G self i,i ), solvation free energies (∆G solv i,j ), and limiting activity coefficients (γ ∞ i,j ), along with the reference values and results of the reference calculations (UNIFAC and MOSCED) to which comparison is made, are tabulated in the supporting information accompanying the electronic version of this manuscript. As mentioned, we are interested in the potential future application of using SMx computed solvation free energies to parameterize a binary interaction excess Gibbs free energy model for phase equilibrium calculations. Therefore, in the supporting information the results are additionally categorized following the system classification used in DECHEMA's "Vapor-Liquid Equilibrium Data Collection" volumes .