Octanol-air partition coefficients of polybrominated biphenyls.
The octanol-air partition coefficients (K(OA)) for PBB15, 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(OA)U) were calculated for the six compounds and were in the range from 74 to 116 kJ mol(-1). Simple regression equations of log K(OA) versus relative retention times (RRTs) on gas chromatography (GC), and log K(OA) versus molecular connectivity indexes (MCI) were obtained, for which the correlation coefficients (r(2)) were greater than 0.985 at 283.15K and 298.15K. Thus the K(OA) values of the remaining PBBs can be predicted by using their RRTs and MCI according to these relationships.
Hongxia
Zhao
Z
Key Laboratory of Industrial Ecology and Environmental Engineering, MOE, Dalian University of Technology, Dalian 116024, China.
Jingwen
Chen
C
Xie
Quan
Q
Baocheng
Qu
Q
Xinmiao
Liang
L
D000388:Air; D002849:Chromatography, Gas; D000442:Octanols / Q000737:chemistry; D011075:Polybrominated Biphenyls / Q000032:analysis* / Q000737:chemistry*; D055549:Volatile Organic Compounds / Q000032:analysis
D000442:Octanols; D011075:Polybrominated Biphenyls; D055549:Volatile Organic Compounds