Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.
Compound
| ID: | 11 | |
|---|---|---|
| Name: | 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl | |
| Description: | ||
| Labels: | ||
| CAS: | 40186-72-9 | |
| InChi Code: | InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 9.14 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -10.26 |
experimental value |
| -10.64 |
Eq.1: General solubility equation (Test set to verify GSE) |