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: | 500 | |
|---|---|---|
| Name: | 1-Bromo-2-chlorobenzene | |
| Description: | ||
| Labels: | ||
| CAS: | 694-80-4 | |
| InChi Code: | InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -3.19 |
experimental value |
| -3.08 |
Eq.1: General solubility equation (Test set to verify GSE) |