Relationships between octanol-water partition coefficient and aqueous solubility

Journal Article · Sat Jun 01 00:00:00 EDT 1985 · Environ. Sci. Technol.; (United States)

DOI:https://doi.org/10.1021/es00136a007· OSTI ID:5048340

Miller, M M; Waslk, S P; Huang, G L; Shiu, W Y; Mackay, D

The thermodynamic relationship between octanol-water partition coefficient and aqueous solubility is discussed in the light of recently measured data for highly hydrophobic chemicals. Experimental data indicate that the presence of dissolved octanol in water has little effect on the solubility of chemicals in water and that the presence of dissolved water in octanol has little effect on the solubility of chemicals in octanol. The activity coefficients of hydrophobic chemicals in aqueous solution and in octanol solution both increase with increased chemical molar volume. An approximately linear relationship between log activity coefficient and molar volume is suggested in both phases, a consequence of which is that a plot of log octanol-water partition coefficient vs. log liquid or subcooled liquid solubility has a slope of approximately -0.8. A molecular thermodynamic interpretation of the data is presented, and some environmental implications are discussed.

• Research Organization: National Bureau of Standards, Washington, DC
• OSTI ID: 5048340
• Journal Information: Environ. Sci. Technol.; (United States), Vol. 19:6
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
AROMATICS
CHEMICAL PROPERTIES
PHYSICAL PROPERTIES
CHLORINATED AROMATIC HYDROCARBONS
HYDROCARBONS
POLYCYCLIC AROMATIC HYDROCARBONS
AQUEOUS SOLUTIONS
DATA ANALYSIS
EXPERIMENTAL DATA
SOLUBILITY
TABLES
THERMODYNAMICS
DATA
DISPERSIONS
HALOGENATED AROMATIC HYDROCARBONS
INFORMATION
MIXTURES
NUMERICAL DATA
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
SOLUTIONS
400301* - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)