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: | 111 | |
|---|---|---|
| Name: | 2,2',3,4,5'-Pentachlorobiphenyl | |
| Description: | Name was changed from 2,2',3,4,5'-Hexachlorobiphenyl to 2,2',3,4,5'-Pentachlorobiphenyl | |
| Labels: | ||
| CAS: | 38380-02-8 | |
| InChi Code: | InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 6.85 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -6.97 |
experimental value |
| -7.22 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6073497 | US EPA CompTox Dashboard |