Determination and QSPR analysis of log Kow and log Koc for fluorine containing benzene derivatives

Hong Yang, Chunrong Tian, Li Li, Shuokui Han, Liansheng Wang, Zheng Zhang

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish (US)
Pages (from-to)499-507
Number of pages9
JournalToxicological and Environmental Chemistry
Volume69
Issue number3-4
DOIs
StatePublished - 1999

All Science Journal Classification (ASJC) codes

  • Environmental Chemistry
  • Pollution
  • Health, Toxicology and Mutagenesis

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