Both the density and enthalpy of vaporizations predicted using the new parameters are in good agreement with the experimental values and are in better agreement than the original CGenFF parameters in some cases (Table ). This is particularly true for the enthalpy of vaporizations. Between 95-98% of potential parameters combinations were excluded by the XDM criteria, making this approach much more efficient than a traditional grid search of the Lennard-Jones parameter space. This suggests that XDM molecular dispersion coefficients can provide bounds for Lennard-Jones parameters that limit the parameter space to physically-realistic values.