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Section: 5 | Octanol-Water Partition Coefficients |
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John R. Rumble, ed., CRC Handbook of Chemistry and Physics, 102nd Edition (Internet Version 2021), CRC Press/Taylor & Francis, Boca Raton, FL.
If a specific table is cited, use the format: "Physical Constants of Organic Compounds," in CRC Handbook of Chemistry and Physics, 102nd Edition (Internet Version 2021), John R. Rumble, ed., CRC Press/Taylor & Francis, Boca Raton, FL.

OCTANOL–WATER PARTITION COEFFICIENTS

The octanol–water partition coefficient, P, is a widely used parameter for correlating biological effects of organic substances. It is a property of the two-phase system in which water and 1-octanol are in equilibrium at a fixed temperature and the substance is distributed between the water-rich and octanol-rich phases. P is defined as the ratio of the equilibrium concentration of the substance in the octanol-rich phase to that in the water-rich phase, in the limit of zero concentration. In general, P tends to be large for compounds with extended nonpolar structures (such as long chain or multi-ring hydrocarbons) and small for compounds with highly polar groups. Thus P (or, in its more common form of expression, log P) provides a measure of the lipophilic vs. hydrophilic nature of a compound, which is an important consideration in assessing the potential toxicity. A discussion of methods of measurement and accuracy considerations for log P may be found in Ref. 1.

This table gives selected values of log P for about 450 organic compounds, including many of environmental importance. All values refer to a nominal temperature of 25 °C. The references contain data on many more compounds than are included here.

Column definitions are as follows.

Column heading Definition
Name Systematic name of compound; compounds are listed alphabetically
Mol. form. Molecular formula of compound
log P log10 of octanol-water partition coefficient
Ref. Reference

References

  1. Sangster, J., J. Phys. Chem. Ref. Data, 18, 1111, 1989. [https://doi.org/10.1063/1.555833]
  2. Mackay, D., Shiu, W. Y., and Ma, K. C., Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Lewis Publishers/CRC Press, Boca Raton, FL, 1992.
  3. Shiu, W. Y., and Mackay, D., J. Phys. Chem. Ref. Data, 15, 911, 1986. [https://doi.org/10.1063/1.555755]
  4. Pinsuwan, S., Li, L., and Yalkowsky, S. H., J. Chem. Eng. Data, 40, 623, 1995. [https://doi.org/10.1021/je00019a019]
  5. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 20, Pergamon Press, Oxford, 1985.
  6. Solubility Data Series, International Union of Pure and Applied Chemistry, Vol. 38, Pergamon Press, Oxford, 1985.
  7. Miller, M. M., Ghodbane, S., Wasik, S. P., Tewari, Y. B., and Martire, D. E., J. Chem. Eng. Data, 29, 184, 1984. [https://doi.org/10.1021/je00036a027]
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Octanol–Water Partition Coefficients at 25 °C



NameSynonymMol. form.FormulaCAS Reg. No.Mol. wt.log PRef.
Continued on next page...
Acenaphthene1,2-DihydroacenaphthyleneC12H10C12H1083-32-9154.2073.964
AcetaldehydeEthanalC2H4OCH3CHO75-07-044.0520.451
AcetamideEthanamideC2H5NOCH3CONH260-35-559.067-1.261
Acetic acidEthanoic acidC2H4O2CH3COOH64-19-760.052-0.171
Acetone2-PropanoneC3H6O(CH3)2CO67-64-158.079-0.241
AcetonitrileMethyl cyanideC2H3NCH3CN75-05-841.052-0.341
AcetophenoneMethyl phenyl ketoneC8H8OC6H5C=OCH398-86-2120.1491.631
AcridineDibenzo[b,e]pyridineC13H9N260-94-6179.2173.401
Acrolein2-PropenalC3H4OCH2=CHCHO107-02-856.063-0.011
Acrylamide2-PropenamideC3H5NOC3H5NO79-06-171.078-0.781
AcrylonitrilePropenenitrileC3H3NCH2=CHCN107-13-153.0630.251
Allyl alcohol2-Propen-1-olC3H6OC3H6O107-18-658.0790.171
Allylamine2-Propen-1-amineC3H7NCH2=CHCH2NH2107-11-957.0950.031
AnilineBenzenamineC6H7NC6H5NH262-53-393.1270.901
AnisoleMethoxybenzeneC7H8OC7H8O100-66-3108.1382.111
AnthraceneC14H10C14H10120-12-7178.2294.564
trans-Azobenzenetrans-DiphenyldiazeneC12H10N217082-12-1182.2203.821
AzuleneBicyclo[5.3.0]decapentaeneC10H8C10H8275-51-4128.1713.221
BenzaldehydeBenzenecarboxaldehydeC7H6OC6H5CHO100-52-7106.1221.481


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