The aqueous solubilities of 31 polycyclic aromatic hydrocarbons and indan can be accurately estimated from melting point and either molecular surface area or f values. (The latter being an approximation of the octanol-water partition coefficient based upon group contribution values.) In both cases, the coefficient of the melting point term is close to 0.01 and the correlation coefficient exceeds 0.987.
ASJC Scopus subject areas
- Chemical Engineering(all)