2015 Volume 48 Issue 2 Pages 104-106
Critical temperatures and critical pressures are fundamental properties used widely for discussing the corresponding-state principle. The critical constants are collected in reference books, but at present, experimental critical constant data are rarely measured for new compounds. On the other hand, Antoine constants for new compounds have been determined from vapor pressure data. In this paper, equations for evaluating critical temperature and critical pressure from molecular descriptors are obtained using the polynomial expansion method. The molecular descriptors used are Antoine constants, van der Waals volume and ovality. A genetic algorithm has been used to determine the fit parameters in the polynomial expansion equation. The values obtained using these new equations are more accurate than those obtained using the Joback method.
