Octanol/water partition coefficients for environmentally important organic compounds

Partition coefficients P_O,w ⁽ⁱ⁾ describing the distribution of a solute i onto coexisting phases of 1-octanol and water are needed in a large variety of applications. They can be measured directly by HPLC as long as log P_O,w ⁽ⁱ⁾≧ 3.5. For more hydrophobic substances, several experimental procedures have been proposed in the literature. The reliability of those methods is questionable. Therefore, in the present work, P_O,w ⁽ⁱ⁾ is determined experimentally by three HPLC methods using reversed-phase HPLC 1]. Results from different procedures are compared critically. The method of Braumann 2] proved to be superior over the OECD-guidelines 3]. It was therefore applied to determine octanol/water partition coefficients for 23 substances at 25 °C. For eight of those substances (4-methylindole; 9-(hydroxymethyl)anthracene; N-ethylcarbazol; ethylcyclohexane; trans-2-octene; l,l-dimethyl-(ethy])cyclohexane; heptylbenzene; 4-dodecyl-l,3-benzenediol) no experimentally determined number for P_O,w ⁽ⁱ⁾ has been published before.