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: | 412 | |
|---|---|---|
| Name: | ethenyl methanoate | |
| Description: | ||
| Labels: | Esters | |
| CAS: | ||
| InChi Code: | InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 256 |
experimental value |
| 318.1 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 257.8 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 304.5 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 262.71 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 285.78 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| -0.9 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 17.04 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -16.3 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 22.39 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |