title: Measurement of Temperature Dependence for Vapor Pressures of Seventeen OH-PBDEs and Eleven MeO-PBDEs by Gas Chromatographic Method.
abstract: Hydroxylated polybromodiphenyl ethers (OH-PBDEs) and methoxylated polybrominated diphenyl ethers (MeO-PBDEs) are emerging organic pollutants. Supercooled liquid vapor pressures (p L) and enthalpies of vaporization (∆vap H) for seventeen OH-PBDEs and eleven MeO-PBDEs were determined by a gas chromatographic technique. p L at 298 K ranged from 0.0173 Pa for 2'-OH-BDE3 to 2.32 × 10(-7) Pa for 3'-OH-BDE154 and they are approximately one order of magnitude smaller than those determined for the counterpart polybrominated diphenyl ethers (PBDEs). ∆vap H was in the range of 76-121 kJ/mol. The temperature dependence of p L was measured by fitting the experimental data with the log(p L/Pa) = a/(T/K) + b equation, and this corresponds to a 50-265 times higher p L value at 0 versus 30°C. Using fundamental quantum chemical descriptors, two quantitative structure-property relationship models (Q cum > 0.935) were developed to estimate p L at any temperature for the additional OH- and MeO-PBDE congeners.
authors.affiliation: Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Linggong Road 2, Dalian, 116024, China. hxzhao@dlut.edu.cn.
authors.forename: Hongxia
authors.initials: H
authors.lastname: Zhao
authors.affiliation: Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Linggong Road 2, Dalian, 116024, China.
authors.forename: Qing
authors.initials: Q
authors.lastname: Xie
authors.affiliation: Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Linggong Road 2, Dalian, 116024, China.
authors.forename: Xiuying
authors.initials: X
authors.lastname: Chen
authors.affiliation: Dalian Institute of Food Inspection, Wanshui Street 68, Dalian, 116021, China.
authors.forename: Baocheng
authors.initials: B
authors.lastname: Qu
authors.affiliation: Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Linggong Road 2, Dalian, 116024, China.
authors.forename: Jingqiu
authors.initials: J
authors.lastname: Jiang
mesh_terms: D002849:Chromatography, Gas; D004784:Environmental Monitoring; D004785:Environmental Pollutants / Q000737:chemistry*; D055768:Halogenated Diphenyl Ethers / Q000737:chemistry*; D006900:Hydroxylation; D008956:Models, Chemical; D021281:Quantitative Structure-Activity Relationship; D013696:Temperature; D055548:Vapor Pressure
chemical_list: D004785:Environmental Pollutants; D055768:Halogenated Diphenyl Ethers
keywords: Gas chromatography; MeO-PBDEs; OH-PBDEs; QSPR; Vapor pressure