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    谢晴

    • 高级工程师    
    • 主要任职:无
    • 性别:女
    • 毕业院校:大连理工大学
    • 学位:博士
    • 在职信息:在职
    • 所在单位:环境学院
    • 学科:环境工程
    • 办公地点:环境楼A315
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    Determination and prediction of octanol-air partition coefficients for organophosphate flame retardants

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    论文类型:期刊论文

    第一作者:Wang, Qingzhi

    通讯作者:Zhao, HX (reprint author), Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn, Minist Educ, Linggong Rd 2, Dalian 116023, Peoples R China.

    合写作者:Zhao, Hongxia,Wang, Yan,Xie, Qing,Chen, Jingwen,Quan, Xie

    发表时间:2017-11-01

    发表刊物:ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

    收录刊物:PubMed、Scopus、SCIE

    卷号:145

    页面范围:283-288

    ISSN号:0147-6513

    关键字:Organophosphate flame retardants; Octanol-air partition coefficient; Gas chromatographic retention time method; Relative retention time

    摘要:Organophosphate flame retardants (OPFRs) have attracted wide concerns due to their toxicities and ubiquitous occurrence in the environment. In this work, Octanol-air partition coefficient (K-OA) for 14 OPFRs including 4 halogenated alkyl-, 5 aryl- and 5 alkyl-OPFRs, were estimated as a function of temperature using a gas chromatographic retention time (GC-RT) method. Their log KOA-GC values and internal energies of phase transfer (Delta U-OA/kJ mol(-1)) ranged from 8.03 to 13.0 and from 69.7 to 149, respectively. Substitution pattern and molar volume (V-M) were found to be capable of influencing log KOA-GC values of OPFRs. The halogenated alkyl-OPFRs had higher log KOA-GC values than aryl- or alkyl-OPFRs. The bigger the molar volume was, the greater the log KOA-GC values increased. In addition, a predicted model of log KOA-GC versus different relative retention times (RRTs) was developed with a high cross-validated value (Q((cum))(2)) of 0.951, indicating a good predictive ability and stability. Therefore, the log KOA-GC values of the remaining OPFRs can be predicted by using their RRTs on different GC columns.