Prediction of boiling points of organic compounds by QSPR tools
Novel molecular descriptors YC, WC and P3 for predicting the normal boiling points of organic compounds were reported. More than two hundred compounds were tested and very good correlations were obtained. The molecular descriptors YC, WC and P3 proved to be effective as compared to most cited molecular descriptors. To the best of our knowledge, there have no reports on this molecular descriptor yet.
organic compound molecular descriptor normal boiling point equilibrium electro-negativity quantitative structureproperty relationship (qspr)