Chemosphere 2012-08-01

Synthesis and QSPR study on environment-related properties of polychlorinated diphenyl sulfides (PCDPSs)

Jiaqi Shi, Xuesheng Zhang, Ruijuan Qu, Ying Xu, Zunyao Wang

Index: Chemosphere 88(7) , 844-54, (2012)

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Abstract

Highlights ► Some PCDPS congeners were synthesized and the logKow and logk′ were determined. ► Three methods were used to establish models for predicting logKow and logk′. ► The logKow and logk′ of all PCDPS congeners were predicted based on the models. ► The electrostatic effect may be the primary factor influencing logKow and logk′. ► The logKow differences between PCDPS and PCDE, PBDE relate to the molecule size.