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Citation: WANG Qingzhi, ZHAO Hongxia, WANG Yan, XIE Qing, CHEN Jingwen, QUAN Xie. Determination and prediction for vapor pressures of organophosphate flame retardants by gas chromatography[J]. Chinese Journal of Chromatography, ;2017, 35(9): 1008-1013. doi: 10.3724/SP.J.1123.2017.05015 shu

Determination and prediction for vapor pressures of organophosphate flame retardants by gas chromatography

Key Laboratory of Industrial Ecology and Environmental Engineering of Ministry of Education, School of Environmental Science and Technology, Dalian University of Technology, Dalian 116023, China

Received Date: 18 May 2017

Fund Project: National Natural Science Foundation of China (No. 21677023)

Organophosphate flame retardants (OPFRs) are ubiquitous in the environment. To better understand and predict their environmental transport and fate, well-defined physicochemical properties are required. Vapor pressures (P) of 14 OPFRs were estimated as a function of temperature (T) by gas chromatography (GC), while 1,1,1-trichioro-2,2-bis (4-chlorophenyl) ethane (p,p'-DDT) was acted as a reference substance. Their log P_GC values and internal energies of phase transfer (△ _vapH) ranged from -6.17 to -1.25 and 74.1 kJ/mol to 122 kJ/mol, respectively. Substitution pattern and molar volume (V_M) were found to be capable of influencing log P_GC values of the OPFRs. The halogenated alkyl-OPFRs had lower log P_GC values than aryl-or alkyl-OPFRs. The bigger the molar volume was, the smaller the log P_GC value was. In addition, a quantitative structure-property relationship (QSPR) model of log P_GC versus different relative retention times (RRTs) was developed with a high cross-validated value (Q²_cum) of 0.946, indicating a good predictive ability and stability. Therefore, the log P_GC values of the OPFRs without standard substance can be predicted by using their RRTs on different GC columns.
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