Literature DB >> 10901675

Vapour pressures, aqueous solubilities, Henry's law constants, partition coefficients between gas/water (Kgw), n-octanol/water (Kow) and gas/n-octanol (Kgo) of 106 polychlorinated diphenyl ethers (PCDE)

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Abstract

Modelling the environmental fate of persistent organic pollutants like polychlorinated diphenyl ethers (PCDE) requires the knowledge of a number of fundamental physico-chemical properties of these compounds. We report here the physico-chemical properties of 106 PCDEs, which are over 50% of all possible congeners. Vapour pressures P(OL), water solubilities S(H2O), and n-octanol/water partition coefficients K(OW) were determined with chromatographic methods. With these experimental data the Henry's law constants H, gas/water K(GW) and gas/n-octanol K(GO) partition coefficients were calculated. Vapour pressures and water solubilities and n-octanol/water partition coefficients of the PCDEs are close to those of similar groups of organochlorine compounds like polychlorinated biphenyls (PCBs) and dibenzofurans (PCDFs). A similar environmental fate can be predicted and was partially already been observed.

Entities:  

Year:  1999        PMID: 10901675     DOI: 10.1016/s0045-6535(98)00212-4

Source DB:  PubMed          Journal:  Chemosphere        ISSN: 0045-6535            Impact factor:   7.086


  6 in total

1.  SAMPL4, a blind challenge for computational solvation free energies: the compounds considered.

Authors:  J Peter Guthrie
Journal:  J Comput Aided Mol Des       Date:  2014-04-06       Impact factor: 3.686

2.  Toxicity evaluation of 4,4'-di-CDPS and 4,4'-di-CDE on green algae Scenedesmus obliquus: growth inhibition, change in pigment content, and oxidative stress.

Authors:  Bingxin Fang; Jiaqi Shi; Li Qin; Mingbao Feng; Danru Cheng; Tantan Wang; Xuesheng Zhang
Journal:  Environ Sci Pollut Res Int       Date:  2018-03-24       Impact factor: 4.223

3.  Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds.

Authors:  Aleksandra Mostrag; Tomasz Puzyn; Maciej Haranczyk
Journal:  Environ Sci Pollut Res Int       Date:  2010-02       Impact factor: 4.223

4.  Prediction of vapour pressures for halogenated diphenyl ether congeners from molecular descriptors.

Authors:  Tomas G Oberg
Journal:  Environ Sci Pollut Res Int       Date:  2002       Impact factor: 4.223

5.  Formation of polychlorinated diphenyl ethers from condensation of chlorophenols with chlorobenzenes.

Authors:  Wenxia Liu; Minghui Zheng; Wenbin Liu; Xiaodong Ma; Yong Qian; Bing Zhang
Journal:  Environ Sci Pollut Res Int       Date:  2008-01       Impact factor: 4.223

6.  Quantitative relationship between the octanol/water partition coefficient and the diffusion limitation of the exchange between adipose and blood.

Authors:  David G Levitt
Journal:  BMC Clin Pharmacol       Date:  2010-01-07
  6 in total

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