Such a data set would naively require a total of 706 simulations to be performed and analyzed: three for each Δ ( ) and ( ) data point, and one for each ( ) data point. If all the data points in the set were measured at identical state points (i.e. the same temperature, pressure and composition) then the same data set could in principle be estimated using only 142 simulations if redundant simulations were removed. 38 simulations would be required to compute the density and enthalpy of each of the individual components, while 104 simulations would be required to compute the same for each binary mixture at the three different compositions. In practice, due to certain data points being measured at slightly different conditions (e.g. at 308.15 K rather than 298.15 K) and concentrations, the data set used for this study required a total of 246 simulations after redundant calculations have been removed. Still, this is roughly a third of the simulations which would have been required had the redundant ones not been removed.