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: | 748 | |
|---|---|---|
| Name: | Halothane | |
| Description: | In original publication melting point for this compound was denoted as <25C. | |
| Labels: | ||
| CAS: | 151-67-7 | |
| InChi Code: | InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 2.3 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -1.71 |
experimental value |
| -1.95 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4025371 | US EPA CompTox Dashboard |