色谱2017，Vol.35Issue(9)：1008-1013,6.DOI:10.3724/SP.J.1123.2017.05015
气相色谱法测定及预测有机磷阻燃剂的蒸气压
Determination and prediction for vapor pressures of organophosphate flame retardants by gas chromatography
摘要
Abstract
Organophosphate flame retardants ( OPFRs) are ubiquitous in the environment. To better understand and predict their environmental transport and fate, well-defined physico-chemical properties are required. Vapor pressures ( P) of 14 OPFRs were estimated as a func-tion of temperature ( T) by gas chromatography ( GC) , while 1,1,1-trichioro-2,2-bis (4-chloro-phenyl) ethane (p,p'-DDT) was acted as a reference substance. Their log PGC values and internal energies of phase transfer (Δvap H) ranged from -6. 17 to -1. 25 and 74. 1 kJ/mol to 122 kJ/mol, respectively. Substitution pattern and molar volume (VM) were found to be capable of influen-cing log PGC values of the OPFRs. The halogenated alkyl-OPFRs had lower log PGC values than aryl- or alkyl-OPFRs. The bigger the molar volume was, the smaller the log PGC value was. In addition, a quantitative structure-property relationship ( QSPR) model of log PGC versus differ-ent relative retention times ( RRTs) was developed with a high cross-validated value ( Q2cum ) of 0. 946, indicating a good predictive ability and stability. Therefore, the log PGC values of the OPFRs without standard substance can be predicted by using their RRTs on different GC columns.关键词
气相色谱/蒸气压/定量构效关系/有机磷阻燃剂Key words
gas chromatography ( GC )/vapor pressure ( P )/quantitative structure-property relationship ( QSPR)/organophosphate flame retardants ( OPFRs)分类
化学化工引用本文复制引用
王庆芝,赵洪霞,王琰,谢晴,陈景文,全燮..气相色谱法测定及预测有机磷阻燃剂的蒸气压[J].色谱,2017,35(9):1008-1013,6.基金项目
国家自然科学基金(21677023) （21677023）
城市水资源与水环境国家重点实验室开放基金项目(QAK201606).National Natural Science Foundation of China (No.21677023) （QAK201606）
State Key Laboratory Open Foundation of Urban Water Resource and Environment (No.QAK201606) . （No.QAK201606）
