Aqueous solubility and Henry's law constant data for PCB congeners for evaluation of quantitative structure-property relationships (QSPRs)

Dunnivant, Frank M.; Elzerman, Alan W.

doi:10.1016/0045-6535(88)90028-8

Cited by 77 publications

(71 citation statements)

References 35 publications

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“…Log K~wvalues were compared to the log Kow data collected from the literature that are listed in Table I As the method applied here is an indirect one, the error in the final results is an accumulation of the errors from the samples of the coated chromosorb, the chromosorb after aqueous exposure, and the chromosorb after the exposure to the micellar solution. Still, the analyses themselves proved to be so accurate that the final results, at least in the TDC experiments, show the same range of errors that is achieved with the well established generator column technique for solubility measurements and the slow stirring technique for determining partition coefficients in well defined n-octanol/water systems [26,27].…”

Section: Resultsmentioning

confidence: 99%

“…Data on aqueous solubility (S,) are a selection of Mackay and Shiu, except for PCB 14 and PCB 180 that were determined by Dunnivant et al and PCB 198 that was obtained from RP-HPLC data by Brodsky and Ballschmitter [21,26,25]. The presence of dissolved electrolytes in the buffer under the experimental conditions does not seem to have a major influence on the solubilities of the hydropliobic chemicals used in this study.…”

Section: Resultsmentioning

confidence: 99%

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Solubility and micelle-water partitioning of polychlorinated biphenyls in solutions of bile salt micelles

Dulfer

Govers

1995

Chemosphere

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Solubility and micelle-water partitioning of polychlorinated biphenyls in solutions of bile salt micelles

Dulfer

Govers

1995

Chemosphere

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“…Dunnivant et al 53 58 and by Murphy et al 59 for PCBs in different Aroclor mixtures. Bamford et al 60 have measured "Henry's law constants" for 26 PCB congeners using a gas-stripping apparatus at (4,11,18,25, and 31)°C.…”

Section: Temperature Coefficients For Physical Properties Equation Formentioning

confidence: 97%

Environmentally Relevant Properties of All 209 Polychlorinated Biphenyl Congeners for Modeling Their Fate in Different Natural and Climatic Conditions

Paasiv́irta

Sinkkonen

2009

J. Chem. Eng. Data

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The temperature dependence of physical properties and degradation lifetimes in the environment of all polychlorinated biphenyl (PCB) congeners (N ) 209) were determined. For physical properties, the coefficients A and B in equations log(property) ) A(property) -B(property)/T(K) were determined by thermodynamic and QSPR methods and compared with the results of independent methods in the literature. The coefficients Apl and Bpl for liquid state vapor pressure P L , As and Bs for solubility in water S W , Ah and Bh for volatility k H (or k H ) P L /S W ), and Aow and Bow for lipophilicity (K OW ), stored in the database of the fate model program, allowed automatic temperature corrections for realistic fate and exposure modeling at variable environmental conditions. Half-lives HL(i) for degradation in compartments air (i ) 1), water (2), soil/ plants (3), and sediment (4) were determined by combination of the photolysis and biodegradation rates (from the literature) at one reference temperature (mostly 25°C). Examples of validation procedures for both physical properties and degradation rates were given. Temperature dependences were possible to compare with sufficient independent PCB sets only for vapor pressure. Other property sets could be compared statistically at 25°C only. Field observations gave opportunities to validate estimated properties indirectly, e.g., with fate modeling and kinetics. Such a case was presented about the role of mono-ortho hexa-CB congeners 156, 157, and 167 as precursors in the formation of toxic CB126, the most potent observed factor to yolk sac mortality (YSM) from 1988 to 1992 of the fry of Simojoki River salmon (N ) 40).

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“…1988) to 0.0023 g.m "3 (Dunnivant and Elzerman, 1988). The variation in these values, determined with the same method, displays the difficulty of measuring the aqueous solubility of hydrophobic compounds.…”

Section: Methods Evaluationmentioning

confidence: 99%

Determination of aqueous solubilities of tetrachlorobenzyltoluenes individually and in a mixture by a modified generator column technique

et al. 1996

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Determination of aqueous solubilities of tetrachlorobenzyltoluenes individually and in a mixture by a modified generator column technique General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible.

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Aqueous solubility and Henry's law constant data for PCB congeners for evaluation of quantitative structure-property relationships (QSPRs)

Cited by 77 publications

References 35 publications

Solubility and micelle-water partitioning of polychlorinated biphenyls in solutions of bile salt micelles

Solubility and micelle-water partitioning of polychlorinated biphenyls in solutions of bile salt micelles

Environmentally Relevant Properties of All 209 Polychlorinated Biphenyl Congeners for Modeling Their Fate in Different Natural and Climatic Conditions

Determination of aqueous solubilities of tetrachlorobenzyltoluenes individually and in a mixture by a modified generator column technique

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