Physical property simulations were handled with the OpenFF Evaluator software package, version 0.3.4 , using the default workflows for all properties simulated. We performed simulations to estimate pure density (𝜌 𝐿 ), mixture density (𝜌 𝐿 (𝑥)), enthalpy of vaporization (Δ𝐻 𝑣𝑎𝑝 ) and enthalpy of mixing (Δ𝐻 𝑚𝑖𝑥 (𝑥)). We perform all condensed-phase simulations in the NPT ensemble, with initial simulation boxes of 1000 molecules built using PackMOL . After building the boxes, we perform an energy minimization on the simulation boxes, followed by a 0.2 ns equilibration simulation and a 2 ns production simulation, which is sufficient to converge these simple physical properties . In the calculation of Δ𝐻 𝑣𝑎𝑝 , we use 30 ns single molecular NVT simulations without periodic boundary conditions to estimate the gas phase energies. All simulations use a 2 fs timestep and a Langevin integrator with BAOAB splitting . More complete simulation details are available in our previous work , which uses the same simulation workflows.