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: | 454 | |
|---|---|---|
| Name: | glycerol triethanoate | |
| Description: | ||
| Labels: | Esters | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 404.44 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 416.46 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 432.86 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 425.02 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 419.7 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 8.95 |
CN_SVM-GD: SVM-GD model for cetane number (Unreliable experimental values) |
| 5.99 |
CN_SVM-MD: SVM-MD model for cetane number (Unreliable experimental values) |
| 2.87 |
CN_NN-MD: NN-MD model for cetane number (Unreliable experimental values) |
| 6.7 |
CN_GRNN-MD: GRNN-MD model for cetane number (Unreliable experimental values) |