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: | 232 | |
|---|---|---|
| Name: | 2,4,5,6-Tetrachloroanisole | |
| Description: | ||
| Labels: | ||
| CAS: | 938-22-7 | |
| InChi Code: | InChI=1S/C7H4Cl4O/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 5.75 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -5.13 |
experimental value |
| -4.42 |
Eq.1: General solubility equation (Test set to verify GSE) |