“…Thermodynamic properties of liquid mixtures like excess molar volumes, V E , excess molar enthalpies, H E , isentropic compressibility changes of mixing, κ S E , and excess Gibb’s free energy, G E , have extensive applications in chemical engineering, design calculations for heat transfer, mass transfer and fluid flow, process simulation, solution theory, and molecular dynamics. In recent studies, − topology of the constituents of binary or ternary mixtures has been employed to predict excess molar volumes, excess molar enthalpies, and isentropic compressibility changes of mixing of binary liquid mixtures. An attempt has been made here to predict excess Gibb’s free energy of binary mixtures by employing the topology of a molecule.…”