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: | 453 | |
|---|---|---|
| Name: | ethylene glycol diprop-2-enoate | |
| Description: | ||
| Labels: | Esters | |
| CAS: | ||
| InChi Code: | InChI=1S/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 373.15 |
experimental value |
| 371.07 |
FP_PLS-MD: PLS-MD model for flash point (Validation set) |
| 378.36 |
FP_SVM-GD: SVM-GD model for flash point (Validation set) |
| 393.17 |
FP_NN-MD: NN-MD model for flash point (Validation set) |
| 377.35 |
FP_NN-GD: NN-GD model for flash point (Validation set) |
| 379.99 |
FP_consensus: Consensus model for flash point (Validation set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| -4.4 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 2.34 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -9.42 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 34.12 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |