The present work involves in determining isotropic and effective pair potential energy of binary gas mixtures of Kr–Xe , Kr–C₂H₆ , Xe–C₂H₆ , Kr–C₃H₈ , and Xe–C₃H₈ from thermophysical properties consisting of viscosity and second virial coefficients through inversion method. Typically, the calculated intermolecular potential energy of Kr–Xe system has compared with HFD model potential reported in literature. A desirable harmony between our model potential and HFD model has been obtained. In order to assess the potential energies obtained, transport properties including viscosity, diffusion, thermal diffusion factor, and thermal conductivity of aforementioned mixtures were predicted using the calculated models potential. The deviation percentage of the calculated viscosity and thermal conductivity of above-mentioned mixtures from the literature values are, respectively, within ±2%, ±3%.