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: | 229 | |
|---|---|---|
| Name: | Hexachlorocyclopentadiene | |
| Description: | ||
| Labels: | ||
| CAS: | 77-47-4 | |
| InChi Code: | InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 5.04 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -5.18 |
experimental value |
| -4.55 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020688 | US EPA CompTox Dashboard |