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: | 182 | |
|---|---|---|
| Name: | Pentachlorobenzene | |
| Description: | ||
| Labels: | ||
| CAS: | 608-93-5 | |
| InChi Code: | InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 5.18 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -5.66 |
experimental value |
| -5.44 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024247 | US EPA CompTox Dashboard |