Partition coefficients chlorinated biphenyls

Fig. 5. Relationship between the distribution (partition) coefficient on dimethyl dihydrogenated tallow montmorillonite for a range of non-ionic organic pollutants and their corresponding solubility in water. BHC is benzene hexachloride, the y-isomer of which is known as lindane aroclor 1232 and aroclor 1252 denote mixtures of polychlorinated biphenyls containing about 32 and 52% chlorine, respectively. After Beall (2003).

Bruggeman, W. A., van der Steen, J., Hutzinger, O. (1982) Reversed-phase thin-layer chromatography of polynuclear aromatic hydrocarbons and chlorinated biphenyls. Relationship with hydrophobicity as measured by aqueous solubility and octanol-water partition coefficient. J. Chromatogr. 238, 335-346. 

Miller, M. M., Ghodbane, S., Wasik, S. R, Tewari, Y. B., Martire, D. E. (1984) Aqueous solubilities, octanol/water partition coefficients and entropies of melting of chlorinated benzenes and biphenyls. J. Chem. Eng. Data 29, 184-190. 

We have limited data on the PCBs, where information is available only on the biphenyls with no more than a few chlorine atoms. We find it necessary to provide answers to pollution arising from PCBs with five to six carbon atoms. How do we use this limited information to construct a plausible estimate of their vapor pressures, water solubilities, and partition coefficients between octanol and water ... 

Sabljic, A., Gusten, H., Hermens, J.L. and Opperhuizen, A. (1993). Modeling Octanol/Water Partition Coefficients by Molecular Topology Chlorinated Benzenes and Biphenyls. Environ.Sci. Technol., 27,1394-1402. 

Sabljic A, Glisten H, Hermens J, et al. 1993. Modeling octanol/water partition coefficients by molecular topology Chlorinated benzenes and biphenyls. Environ Sci Technol 27(7) 1394-1402. 

BIOLOGICAL PROPERTIES partition coefficient between sediment and water 10" 15-10% degradation of 1 mg in 48 hr, increased chlorine in molecule decreases degradation catalytic dechlorination to biphenyl was achieved with 5% platinum or palladium on 60/80 mesh glass beads has a tendency to leach through soil can be detected in water by EPA Method 608 gas chromatography, or EPA Method 625 gas chromatography plus mass spectrometry... 

Figure 5.18 Relation between the excretion rate constant ( 2) and octanol-water partition coefficient (ATd,oct) for polyhalogenated hydrocarbons chlorinated dibenzofurans O, chlorinated dibenzodioxins O, brominated biphenyls T, chlorinated naphthalenes , brominated benzenes , chlorinated biphenyls , chlorinated benzenes. [Reproduced with permission from A. Opperhuizen and D. T. H. M. Sijm, Environ. Toxicol. Chem. 9, 175 (1990). Copyright SETAC, Pensacola, FL, USA.]...

Bruggeman, W.A., J. Van Der Steen, and O. Hutzinger. Reversed-Phase Thin-Layer Chromatography of Polynuclear Aromatic Hydrocarbons and Chlorinated Biphenyls. Relationship with Hydrophobicity as Measured by Aqueous Solubility and Octanol-Water Partition Coefficient, J. Chromatogr., 238 335-346 (1982). 

Miller, M.M., S. Ghodbane, S.P. Wasik, Y.B. Tewari, and D.E. Martire. Aqueous Solubilities, Octanol/Water Partition Coefficients, and Entropies of Melting of Chlorinated Benzenes and Biphenyls, J. Chem. Eng. Data, 29(2) 184-190 (1984). 

This study was undertaken to test the ability of our previous molecular connectivity models to accurately predict the soil sorption coefficients, bioconcentration factors, and acute toxicities in fish of polycyclic aromatic hydrocarbons (PAHs), alkylbenzenes, alkenylbenzenes, chlorobenzenes, polychlorinated biphenyls, chlorinated alkanes and alkenes, heterocyclic arid substituted PAHs, and halogenated phenols. Tests performed on large groups of such compounds clearly demonstrate that these simple nonempirical models accurately predict the soil sorption coefficients, bioconcentration factors, and acute toxicities in fish of the above compounds. Moreover, they outperform traditional empirical models based on 1-octanol/ water partition coefficients or water solubilities in accuracy, speed, and range of applicability. These results show that the molecular connectivity models are a very accurate predictive tool for the soil sorption coefficients, bioconcentration factors, and acute toxicities in fish of a wide range of organic chemicals and that it can be confidently used to rank potentially hazardous chemicals and thus to create a priority testing list. ... 

It is suggested that when assessing the environmental fate or toxicity of organic chemicals, especially those of congeneric series, such as PCBs, it is useful to gather and critically review their basic properties including solubility, vapour pressure, octanol/water partition coefficient and Henry s law constant. This approach is illustrated for three series of chemicals, the chlorobenzenes, the polychlorinated biphenyls and the chlorinated dibenzo-p-dioxins. 

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