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: | 550 | |
|---|---|---|
| Name: | 1-Bromo-3-methylbutane | |
| Description: | ||
| Labels: | ||
| CAS: | 107-82-4 | |
| InChi Code: | InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.89 |
experimental value |
| -2.56 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7059353 | US EPA CompTox Dashboard |