Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.
Compound
| ID: | 137 | |
|---|---|---|
| Name: | hexylene glycol | |
| Description: | 2-methylpentane-2,4-diol | |
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 199 |
experimental value |
| 205.73 |
Tab3Tab4: ANFIS model for alcohols (Validation set) |
| 235.32 |
Eq12: GFA-MLR model for alcohols (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021885 | US EPA CompTox Dashboard |