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: | 123 | |
|---|---|---|
| Name: | 3,4,5-Trichlorodiphenyl ether | |
| Description: | ||
| Labels: | ||
| CAS: | 63646-53-7 | |
| InChi Code: | InChI=1S/C12H7Cl3O/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7H |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -6.77 |
experimental value |
| -5.7 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30213020 | US EPA CompTox Dashboard |