Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.
Compound
| ID: | 18 | |
|---|---|---|
| Name: | 3,3-dimethyl-1-butanol | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 139 |
experimental value |
| 117.42 |
Tab3Tab4: ANFIS model for alcohols (Training set) |
| 119.26 |
Eq12: GFA-MLR model for alcohols (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3060796 | US EPA CompTox Dashboard |