Release Time:2019-03-13  Hits:

Indexed by: Journal Article

Date of Publication: 2016-05-01

Journal: BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY

Included Journals: Scopus、PubMed、EI、SCIE

Volume: 96

Issue: 5

Page Number: 657-663

ISSN: 0007-4861

Key Words: OH-PBDEs; MeO-PBDEs; Vapor pressure; Gas chromatography; QSPR

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 (a dagger(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 x 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). a dagger(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 30A degrees 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.