Octanol-water partition coefficients (Kow) and soil organic carbon sorption coefficients (Koc) were determined for 14 fluorinated benzene derivatives. Quantitative structure-property relationships were developed using molecular connectivity indices and quantum chemical parameters to analyze the most significant factors influencing these physico-chemical properties of the compounds. The substitution by F in benzene derivatives has greater influence on Koc than on Kow.
All Science Journal Classification (ASJC) codes
- Environmental Chemistry
- Health, Toxicology and Mutagenesis