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: | 336 | |
|---|---|---|
| Name: | 1,1,3,4,4-Pentachloro-1,2-butadiene | |
| Description: | In original publication melting point for this compound was denoted as <25C. | |
| Labels: | ||
| CAS: | 112042-51-0 | |
| InChi Code: | InChI=1S/C4HCl5/c5-2(4(8)9)1-3(6)7/h4H |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.23 |
experimental value |
| -3.35 |
Eq.1: General solubility equation (Test set to verify GSE) |