Saldana, D. A.; Starck, L.; Mougin, P.; Rousseau, B.; Pidol, L.; Jeuland, N.; Creton, B. Flash Point and Cetane Number Predictions for Fuel Compounds Using Quantitative Structure Property Relationship (QSPR) Methods. Energy Fuels 2011, 25, 9, 3900–3908.
Compound
| ID: | 279 | |
|---|---|---|
| Name: | 2-furylmethanol | |
| Description: | ||
| Labels: | Aromatics, (Oxygenates) | |
| CAS: | ||
| InChi Code: | InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 356 |
experimental value |
| 347.74 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 334.75 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 372.28 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 332.31 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 346.77 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 10.97 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 7.87 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -6.73 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 25.02 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2025347 | US EPA CompTox Dashboard |