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Silicone-water Partition Coefficients Determined by Cosolvent Method for Chlorinated Pesticides, Musks, Organo Phosphates, Phthalates and More

Silicone-water Partition Coefficients Determined by Cosolvent Method for Chlorinated Pesticides, Musks, Organo Phosphates, Phthalates and More

Foppe Smedes

Chemosphere. 2018 Nov;210:662-671.

PMID: 30031996

Abstract:

To further support implementation of monitoring by passive sampling, robust sampler-water partition coefficients (Kpw) are required to convert 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. 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 Kpw-Kow relationship.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
TIT9322	Water/Methanol Standard			Price

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