When curating reference data, we only included binary systems for which QChem had (SMx) solvent parameters for both components. The reason for this is two-fold. (1) First, if one were to compute both ∆G solv i,j and ∆G self i,i to predict ln γ ∞ i,j via eq. ( ), a solvation free energy would be required when both i and j take on the role of solvent, requiring that SMx solvent parameters be available for both components. (2) On the other hand, if ∆G self i,i was instead computed using reference vapor pressure data, then in theory solvent parameters for i would not be necessary. However, even if this is the case, 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. For this case, for a binary pair both γ ∞ i,j and γ ∞ j,i are required; no matter how the self-solvation free energy is computed, a solvation free energy calculation is required in both solvents, making necessary the availability of SMx solvent parameters for both components.