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首页> 外文期刊>Journal of Physical and Chemical Reference Data >A comprehensive and critical compilation, evaluation, and selection of physical-chemical property data for selected polychlorinated biphenyls
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A comprehensive and critical compilation, evaluation, and selection of physical-chemical property data for selected polychlorinated biphenyls

机译：对选定的多氯联苯进行全面，关键的汇编，评估和选择其物理化学性质数据

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Accurate physical-chemical properties (aqueous solubility S-W, octanol-water partition coefficient K-OW, vapor pressure P, Henry's law constant H, octanol-air partition coefficient K-OA, octanol solubility S-O) are of fundamental importance for modeling the transport and fate of organic pollutants in the environment. Energies of phase transfer are used to describe the temperature dependence of these properties. When trying to quantify the behavior of contaminant mixtures such as the polychlorinated biphenyls, consistent physical-chemical properties are required for each individual congener. A complete set of temperature dependent property data for sixteen polychlorinated biphenyls (PCB-3, 8, 15, 28, 29, 31, 52, 61, 101, 105, 118, 138, 153, 155, 180, 194) was derived, based on all experimentally obtained values reported for these congeners in the literature. Log mean values derived from the experimental data were adjusted to yield an internally consistent set of data for each congener. These adjusted data also show a greater degree of interhomologue consistency, which can be illustrated with the help of simple quantitative structure-property relationships that use molar mass and the number of chlorine substitutions in ortho-positions as descriptors. The extent of the required adjustment gives an indication of the uncertainty of the averaged measured values and is typically lower than might be expected from the range of the reported measured values. (C) 2003 American Institute of Physics. [References: 80]
机译：准确的物理化学性质（水溶解度SW，辛醇-水分配系数K-OW，蒸气压P，亨利定律常数H，辛醇-空气分配系数K-OA，辛醇溶解度SO）对于模拟运输和分析过程至关重要。环境中有机污染物的命运。相转移的能量被用来描述这些性质的温度依赖性。当试图量化诸如多氯联苯之类的污染物混合物的行为时，每个同类物都需要一致的物理化学性质。得出了16种多氯联苯（PCB-3、8、15、28、29、31、52、61、101、105、118、138、153、155、180、194）的完整的温度相关性质数据集，基于文献中针对这些同类物报告的所有实验获得的值。调整从实验数据得出的对数平均值，以产生每个同类物的内部一致数据集。这些调整后的数据还显示出更高程度的同源性一致性，这可以借助简单的定量结构-性质关系加以说明，该关系使用摩尔质量和邻位氯取代数作为描述符。所需调整的程度表明了平均测量值的不确定性，通常低于报告的测量值范围内的预期范围。 （C）2003美国物理研究所。 [参考：80]

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