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: | 1003 | |
|---|---|---|
| Name: | 2,2,2-Trichloro-1,1-ethanediol | |
| Description: | ||
| Labels: | ||
| CAS: | 302-17-0 | |
| InChi Code: | InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 0.99 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| 0.72 |
experimental value |
| -0.53 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020261 | US EPA CompTox Dashboard |