10967/146 - QDB Compounds

QsarDB Repository

Papa, E.; Kovarich, S.; Gramatica, P. Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers. QSAR Comb. Sci. 2009, 28, 790–796.

34 compounds | Property LogPL: Subcooled liquid vapour pressure as logPL [Pa] i

IDNameLogPLDetails
11-bromo-2-phenoxybenzene i-0.79View
21-bromo-3-phenoxybenzene i-0.89View
72,4-dibromo-1-phenoxybenzene i-1.78View
81-bromo-4-(2-bromophenoxy)benzene i-1.86View
101,3-dibromo-2-phenoxybenzene i-1.56View
111-bromo-3-(3-bromophenoxy)benzene i-1.8View
121,2-dibromo-4-phenoxybenzene i-1.92View
131-bromo-4-(3-bromophenoxy)benzene i-1.95View
151-bromo-4-(4-bromophenoxy)benzene i-2.01View
172,4-dibromo-1-(2-bromophenoxy)benzene i-2.68View
181,4-dibromo-2-(2-bromophenoxy)benzene i-2.68View
282,4-dibromo-1-(4-bromophenoxy)benzene i-2.8View
301,3,5-tribromo-2-phenoxybenzene i-2.34View
321,3-dibromo-2-(4-bromophenoxy)benzene i-2.65View
331,2-dibromo-4-(2-bromophenoxy)benzene i-2.75View
351,2-dibromo-4-(3-bromophenoxy)benzene i-2.86View
371,2-dibromo-4-(4-bromophenoxy)benzene i-2.99View
391,3-dibromo-5-(4-bromophenoxy)benzene i-2.68View
472,4-dibromo-1-(2,4-dibromophenoxy)benzene i-3.5View
662,4-dibromo-1-(3,4-dibromophenoxy)benzene i-3.62View
691,3,5-tribromo-2-(3-bromophenoxy)benzene i-3.4View
751,3,5-tribromo-2-(4-bromophenoxy)benzene i-3.31View
771,2-dibromo-4-(3,4-dibromophenoxy)benzene i-3.81View
821,2,3-tribromo-4-(2,3-dibromophenoxy)benzene i-4.19View
851,2,3-tribromo-4-(2,4-dibromophenoxy)benzene i-4.29View
991,2,4-tribromo-5-(2,4-dibromophenoxy)benzene i-4.17View
1001,3,5-tribromo-2-(2,4-dibromophenoxy)benzene i-4.43View
1151,2,3,5-tetrabromo-4-(4-bromophenoxy)benzene i-4.52View
1161,2,3,4,5-pentabromo-6-phenoxybenzene i-4.29View
1191,3,5-tribromo-2-(3,4-dibromophenoxy)benzene i-4.29View
1281,2,3-tribromo-4-(2,3,4-tribromophenoxy)benzene i-5.17View
1531,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene i-5.07View
1901,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)benzene i-6.04View
1971,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromophenoxy)benzene i-6.77View

Bibliography

  1. Wania, F.; Dugani, C. B. Assessing the long-range transport potential of polybrominated diphenyl ethers: A comparison of four multimedia models. Environmental Toxicology and Chemistry 2003, 22, 1252–1261. http://dx.doi.org/10.1002/etc.5620220610

  2. Palm, A.; Cousins, I. T.; Mackay, D.; Tysklinnd, M.; Alaee, M. Assessing the environmental fate of chemicals of emerging concern: a case study of the polybrominated diphenyl ethers. Environmental Pollution 2002, 117, 195–213. http://dx.doi.org/10.1016/s0269-7491(01)00276-7

  3. Wong, A.; Lei, Y. D.; Alaee, M.; Wania, F. Vapor Pressures of the Polybrominated Diphenyl Ethers. Journal of Chemical & Engineering Data 2001, 46, 239–242. http://dx.doi.org/10.1021/je0002181