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: | 668 | |
|---|---|---|
| Name: | 1-Hexyne | |
| Description: | ||
| Labels: | ||
| CAS: | 693-02-7 | |
| InChi Code: | InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 2.73 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.2 |
experimental value |
| -2.01 |
Eq.1: General solubility equation (Test set to verify GSE) |