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Silicone–water partition coefficients determined by cosolvent method for chlorinated pesticides, musks, organo phosphates, phthalates and more
Chemosphere ( IF 8.1 ) Pub Date : 2018-07-12 , DOI: 10.1016/j.chemosphere.2018.07.054
Foppe Smedes

To further support implementation of monitoring by passive sampling, robust sampler–water partition coefficients (Kpw) are required to transfer data from passive sampler into aqueous phase concentrations. In this work silicone–water partition coefficients were determined for ∼80 hydrophobic organic contaminants using the cosolvent method. Partition coefficients (Kpm) were measured in pure water and water-methanol mixtures up to a methanol mole fraction of 0.3 (50% v/v). Subsequently, logKpw in pure water was determined as the intercept of linear regression of the logKpm with the corresponding methanol mole fractions. LogKpw were determined for phthalates, musks, organo phosphorus flame-retardants, chlorobenzenes, pesticides, some PCBs and a number of miscellaneous compounds. LogKpw Within compounds The median standard error and 95% confidence interval of the measured logKpw was 0.06 and 0.13, respectively. The overall relationship between Kpw and Kow seems insufficient to predict Kpw for unknown compounds. Prediction may work within a group of compounds with similar nature, e.g. homologues but HCH isomers having the same Kow exhibit Kpw ranging over an order of magnitude. Long alkyl-chain phthalates and tris(2-ethylhexyl) phosphate; all having a molecular volume >400 Å3, deviated the most from the KpwKow relationship.



中文翻译:

通过共溶剂法测定的氯农药,麝香,有机磷酸盐,邻苯二甲酸盐等的有机硅-水分配系数

为了进一步支持通过被动采样进行监控,需要强大的采样器-水分配系数(K pw)才能将数据从被动采样器转换为水相浓度。在这项工作中,使用助溶剂方法确定了约80种疏水性有机污染物的硅水分配系数。在纯水和水-甲醇混合物中测量的分配系数(K pm)高达0.3(50%v / v)的甲醇摩尔分数。随后,将纯水中的log K pw确定为log K pm与相应的甲醇摩尔分数的线性回归的截距。日志K pw对邻苯二甲酸盐,麝香,有机磷阻燃剂,氯苯,农药,某些多氯联苯和许多其他化合物进行了测定。化合物内的Log K pw测得的log K pw的中位标准误差和95%置信区间分别为0.06和0.13。K pwK ow之间的整体关系似乎不足以预测未知化合物的K pw。预测可以一组具有相同的具有类似性质的化合物,例如同系物但HCH异构体的内工作ķ展览ķ PW范围超过一个数量级。长烷基链邻苯二甲酸酯和磷酸三(2-乙基己基)酯;所有具有分子体积> 400埃3,偏离从最ķ PW - ķ关系。

更新日期:2018-07-14
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