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论文类型：期刊论文

发表时间：2009-03-01

发表刊物：CHEMOSPHERE

收录刊物：SCIE、EI、PubMed

卷号：74

期号：11

页面范围：1490-1494

ISSN号：0045-6535

关键字：Gas chromatography; PBBs; Octanol-air partition coefficient; Relative retention time; Molecular connectivity index

摘要：The octanol-air partition coefficients (K-OA) for PHIS, PBB26, PBB31, PBB49, PBB103 and PBB153 were determined as a function of temperature using a gas chromatographic retention time technique with 1,1,1-trichloro-2,2-bis (4-chlorophenyl) ethane (p.p'-DDT) as a reference substance. The internal energies of phase change from octanol to air (Delta U-OA) were calculated for the six compounds and were in the range from 74 to 116 kJ mol(-1). Simple regression equations of logK(OA) versus relative retention times (RRTs) on gas chromatography (GC), and logKOA versus molecular connectivity indexes (MCI) were obtained, for which the correlation coefficients (r(2)) were greater than 0.985 at 283.15 K and 298.15 K. Thus the KOA Values of the remaining PBBs can be predicted by using their RRTs and MCI according to these relationships. (C) 2008 Elsevier Ltd. All rights reserved.