Zhu, M.; Gu, C.; Cheng, Y.; Ju, X.; Bian, Y.; Yang, X.; Song, Y.; Ye, M.; Wang, F.; Jiang, X. Theoretical investigation of congener-specific soil sorption of polychlorinated biphenyls by DFT computation and potent QSAR analyses. J. Soil. Sediment. 2016, 17, 35–46.

Compound

	ID:	PCB-199
	Name:	2,2′,3,3′,4,5,5′,6′-octachloro-1,1'-biphenyl
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C12H2Cl8/c13-4-1-3(8(16)12(20)11(4)19)7-9(17)5(14)2-6(15)10(7)18/h1-2H

Properties

logKoc: Soil organic carbon normalized sorption coefficient i

Value	Source or prediction
6.23	experimental value
6.384	Eq.13: Model for soil organic carbon normalized sorption coefficient (Training set)