Application of the mobile order theory to the prediction of aqueous solubility of chlorinated benzenes and biphenyls

Article Abstract:

The application of the mobile order theory for the prediction of the aqueous solubility of highly hydrophobic and environmentally relevant chemicals is discussed. Aqueous solubilities predicted by mobile order equations were compared to the results of other equations utilizing various correlation equations between determined solubilities and other physical constants. The predictive ability of the mobile order thermodynamics-derived solubility model was demonstrated.

Analysis, Solubility

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Determination of non- and mono-ortho-polychlorinated biphenyls in background ambient air

Article Abstract:

An isotope dilution, high-resolution gas chromatography/medium-resolution mass spectrometric method has been used for isomer-specific determination of polychlorinated biphenyls (PCB) in background ambient air. The approach is based on the method for analysis of toxic coplanar PCBs, PCDDs and PCDFs in milk elucidated by van der Velde et al (1994). It helped provide fresh data on baseline atmospheric concentrations and toxic equivalent amounts.

Environmental monitoring

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Quantitative structure-property relationships for aqueous solubilities and Henry's law constants of polychlorinated biphenyls

Article Abstract:

Quantitative structure-property relationship models were developed for polychlorinated biphenyl (PCB) homologues. The models calculate Henry's Law constants (HLC) and cogener-specific aqueous solubilities for PCB compounds that differ slightly in molecular structure. Comparisons of PCB solubilities and HLCs showed significant scatter.

Henry's law constants

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