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: | 71 | |
|---|---|---|
| Name: | 2,3,4,5,6-Pentachlorobiphenyl | |
| Description: | ||
| Labels: | ||
| CAS: | 18259-05-7 | |
| InChi Code: | InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 6.74 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -7.78 |
experimental value |
| -7.58 |
Eq.1: General solubility equation (Test set to verify GSE) |