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: | 177 | |
|---|---|---|
| Name: | 1-Chlorodibenzo-p-dioxin | |
| Description: | ||
| Labels: | ||
| CAS: | 39227-53-7 | |
| InChi Code: | InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 5.05 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -5.72 |
experimental value |
| -5.38 |
Eq.1: General solubility equation (Test set to verify GSE) |