Khajeh, A.; Modarress, H. Quantitative Structure–Property Relationship for Flash Points of Alcohols. Ind. Eng. Chem. Res. 2011, 50, 11337-11342.
Compound
| ID: | 123 | |
|---|---|---|
| Name: | 1,3-butanediol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 228 |
experimental value |
| 248.06 |
Tab3Tab4: ANFIS model for alcohols (Validation set) |
| 225.39 |
Eq12: GFA-MLR model for alcohols (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026773 | US EPA CompTox Dashboard |