An infinite dilution activity coefficient (IDAC) is the activity coefficient of a component when its concentration is infinitely small in a mixture. It is related to the slope of isothermal pressure-composition phase diagrams when the mole fraction tends to zero, and is proportional to the Henry's Law constant. The measurement of IDACs depends on factors such as the volatility of solvent and solute. Techniques such as gas-liquid chromatography, high-performance liquid chromatography 10 and differential ebulliometry are traditionally used to measure activities in extremely dilute systems at varying concentrations, leading to the infinite dilution activity coefficient by extrapolation. There has been considerable interest in predicting these coefficients due to their use in phase equilibria studies in chemical engineering applications. IDACs (also represented by γ ∞ ) are related to solvation free energies by the following equation: 6,7,13