Quantitative Structure-Property Relationship: XXII. Polycyclic Aromatic Hydrocarbons

The previously suggested quantitative structure-property relationship was applied to estimating the properties of polycyclic aromatic hydrocarbons containing from two to six benzene rings fused in various modes. For these compounds, the boiling points, retention indices, and distribution factors in the octanol-water system were calculated. The results obtained are well consistent with the experimental data.