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.

20 compounds | Property LogKow: Octanol-water partition coefficient as logKow

IDNameLogKowDetails
111-bromo-3-(3-bromophenoxy)benzene i5.03View
151-bromo-4-(4-bromophenoxy)benzene i5.67View
172,4-dibromo-1-(2-bromophenoxy)benzene i5.59View
181,4-dibromo-2-(2-bromophenoxy)benzene i5.52View
282,4-dibromo-1-(4-bromophenoxy)benzene i5.75View
321,3-dibromo-2-(4-bromophenoxy)benzene i5.52View
351,2-dibromo-4-(3-bromophenoxy)benzene i5.52View
371,2-dibromo-4-(4-bromophenoxy)benzene i5.52View
391,3-dibromo-5-(4-bromophenoxy)benzene i5.52View
472,4-dibromo-1-(2,4-dibromophenoxy)benzene i6.37View
851,2,3-tribromo-4-(2,4-dibromophenoxy)benzene i6.84View
991,2,4-tribromo-5-(2,4-dibromophenoxy)benzene i6.9View
1001,3,5-tribromo-2-(2,4-dibromophenoxy)benzene i6.83View
1161,2,3,4,5-pentabromo-6-phenoxybenzene i6.71View
1191,3,5-tribromo-2-(3,4-dibromophenoxy)benzene i6.71View
1281,2,3-tribromo-4-(2,3,4-tribromophenoxy)benzene i7.39View
1531,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene i7.6View
1541,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene i7.6View
1831,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene i8.27View
1971,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromophenoxy)benzene i8.62View

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. Braekevelt, E.; Tittlemier, S. A.; Tomy, G. T. Direct measurement of octanol–water partition coefficients of some environmentally relevant brominated diphenyl ether congeners. Chemosphere 2003, 51, 563–567. http://dx.doi.org/10.1016/s0045-6535(02)00841-x

  3. 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

  4. Kuramochi, H.; Maeda, K.; Kawamoto, K. Physicochemical properties of selected polybrominated diphenyl ethers and extension of the UNIFAC model to brominated aromatic compounds. Chemosphere 2007, 67, 1858–1865. http://dx.doi.org/10.1016/j.chemosphere.2006.05.076