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: | 152 | |
|---|---|---|
| Name: | 2,4,4'-Trichlorodiphenyl ether | |
| Description: | ||
| Labels: | ||
| CAS: | 59039-21-3 | |
| InChi Code: | InChI=1S/C12H7Cl3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -6.22 |
experimental value |
| -6.16 |
Eq.1: General solubility equation (Test set to verify GSE) |