The solubilities of caffeine in supercritical ammonia were measured at various temperatures and pressures to represent the relationship between the solubility and the density of ammonia at desired temperature and pressure by means of a simple equation. Using the equation, the interaction virial coefficient between ammonia and caffeine has been determined to give the parameters of Lennard-Jones potential function for the system. Furthermore, there are comparisons and discussions of the interaction virial coefficients and Lennard-Jones potential functions determined by the same techniques from the solubility data of naphthalene in supercritical ammonia and of caffeine and naphthalene in supercritical carbon dioxide from existing data sources others.