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: | 337 | |
|---|---|---|
| Name: | 3,3-Dimethylpentane | |
| Description: | ||
| Labels: | ||
| CAS: | 562-49-2 | |
| InChi Code: | InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.23 |
experimental value |
| -3.64 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0049319 | US EPA CompTox Dashboard |