Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.
Compound
| ID: | 83 | |
|---|---|---|
| Name: | 3-methyl-3-heptanol | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 158 |
experimental value |
| 161.32 |
Tab3Tab4: ANFIS model for alcohols (Training set) |
| 161.50 |
Eq12: GFA-MLR model for alcohols (Training set) |