Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.
Compound
| ID: | 17 | |
|---|---|---|
| Name: | diacetone alcohol | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 116 |
experimental value |
| 142.8 |
Tab3Tab4: ANFIS model for alcohols (Training set) |
| 145.16 |
Eq12: GFA-MLR model for alcohols (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024917 | US EPA CompTox Dashboard |