Pollutants octanol-water partition coefficients

Gossett RW, Brown DA, Young DR. 1983. Predicting the bioaccumulation of organic compounds in marine organisms using octanol/water partition coefficients. Mar Pollut Bull 14 387-392. 

McDuffie, B. (1981) Estimation of octanol/water partition coefficient for organic pollutants using reversed phase HPLC. Chemosphere 10, 73-83. 

Tse, G., Sandler, S.I. (1994) Determination of infinite dilution activity coefficients and 1-octanol/water partition coefficients of volatile organic pollutants. J. Chem. Eng. Data 39, 354-357. 

Ritter, S., Hauthal, W.J., Maurer, G. (1995) Octanol/water partition coefficients for environmentally important organic chemicals. Environ. Sci. Pollut. Res. 2, 153-160. 

Tester, D.J., Harker, R.J. (1981) Ground water pollution investigations in the Great Ouse Basin. Water Pollut. Control 80, 614—631. Tewari, Y.B., Martire, D.E., Wasik, S.P, Miller, M.M. (1982a) Aqueous solubilities and octanol-water partition coefficients of binary liquid mixtures of organic compounds at 25°C. J. Solution Chem. 11, 435 -45. 

Then there are a number of pesticides, e.g. the phenolic herbicide dinoseb and the fungicide pentachlorophenol, whose speciation varies strongly in the environmental pH-range. For this reason, one has to consider the pwhen estimating their environmental fate. Structures of the compounds discussed in this section are depicted in Table 1, together with a listing of their pand octanol-water partition coefficients, Kow, of the neutral species (unless otherwise indicated). Typical basic pollutants include the industrial chemicals aniline and jV.jV-dimethylaniline. 

The assessment of rate and distribution of environmental pollutants in various phases including air, water, and soil is important for the risk assessment of chemicals [48]. The partitioning of chemicals among different phases is usually assessed using a critical list of physical properties including vapor pressure (VP), aqueous solubility, ainwater partition coefficient, and octanol-water partition coefficient. 

Generally, it is clear how Kd can be predicted for organic hydrophobic pollutants which obey a linear isotherm relationship. First, the organic carbon partition coefficient (i. e.,K0C) is predicted based on either solubility or the octanol-water partition coefficient (K0Vf). Then based on an estimate of the organic carbon fraction in the fine and coarse sediments/soils, Kd can be estimated from Eqs. (a and b) (Table 1). 

Wang, X. and Song, H. Determination of octanol-water partition coefficients of organic pollutants by using the dynamic coupled-column liquid chromatographic technique, Trans. Tianjin Univ, 2(l) 59-63, 1996. 

For a given pollutant, has been shown in turn to be directly related to the octanol-water partition coefficient of the pesticide (18). 

The partition coefficient Kq of an organic compound in the 1-octanol/water system is used to assess the bioaccumulation potential and the distribution pattern of drugs and pollutants. The partition coefficient of imidazole and ILs strongly depends on the hydrogen bond formed by these molecules and is less than one due to the high solubility in water. The low value of the 1-octanol/water partition coefficient is required for new substances, solvents, insecticides to avoid bioaccumulation. Kqw is an extremely important quantity because it is the basis of correlations to calculate bioaccumulation, toxicity, and sorption to soils and sediments. Computing the activity of a chemical in human, fish, or animal lipid, which is where pollutants that are hydrophobic will appear, is a difficult task. Thus, it is simpler to measure the 1-octanol/water partition coefficient. This parameter is used as the primary parameter characterizing hydrophobisity. 

McDuffie, B., Estimation of Octanol/Water Partition Coefficients for Organic Pollutants Using Reverse- Phase HPLC. Chemosphere, 1981 10, 73-83. 

In practice, the above equation is valid only if the organic carbon content is the primary sorbent, for organic pollutants with molecular weights less than 400, and when the organic pollutant does not have special-function groups that could promote ion exchange or complexation. In other words, when hydrophobic partition is the sole adsorption mechanism, Koc is strongly correlated with the hydrophobic partition coefficient (Koa,). The octanol/ water partition coefficient is defined as follows ... 

Reddy, K., and M. Locke. 1996. Molecular Properties as Descriptors of Octanol-Water Partition Coefficients of Herbicides. Water, Air and Soil Pollution. 86, 389-405. 

Platford, R F., Carey, J.H., Hale, E.J. (1982) The environmental significance of surface films Part 1. Octanol-water partition coefficients for DDT and hexachlorobenzene. Environ. Pollution (series B), 125-128. 

Some pollutants are assimilated by oiganisms to a greater extent than others, and, if they are lipophilic, they may accumulate. Measures of exposure to chemicals which bioaccumulate in tissue are easily accomplished through an analysis of tissue residues. In the absence of tissue residues, empirical constants are often derived and used by ecotoxicologists to predict bioaccumulation examples include the octanol—water partition coefficient, which approximates a chemical s behavior between the lipid and water phase (see Section 8.3), the bioconcentration factor (BFC), and the bioaccumulation factor (BAC). These last two are defined as follows ... 

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