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: | 271 | |
|---|---|---|
| Name: | 2,2,4-Trimethylpentane | |
| Description: | ||
| Labels: | ||
| CAS: | 540-84-1 | |
| InChi Code: | InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.67 |
experimental value |
| -4.04 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024370 | US EPA CompTox Dashboard |