Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.
Compound
| ID: | 129 | |
|---|---|---|
| Name: | 2,2-dimethyl-3-heptanol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H20O/c1-5-6-7-8(10)9(2,3)4/h8,10H,5-7H2,1-4H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 176 |
experimental value |
| 172.12 |
Tab3Tab4: ANFIS model for alcohols (Validation set) |
| 176.27 |
Eq12: GFA-MLR model for alcohols (Validation set) |