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: | 6 | |
|---|---|---|
| Name: | (9Z,12Z)-octadeca-9,12-dien-1-ol | |
| Description: | ||
| Labels: | Alcohols | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9- |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 408.29 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 400.38 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 376.41 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 424.07 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 402.28 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 44 |
experimental value |
| 36.2 |
CN_SVM-GD: SVM-GD model for cetane number (Validation set) |
| 39.61 |
CN_SVM-MD: SVM-MD model for cetane number (Validation set) |
| 41.05 |
CN_NN-MD: NN-MD model for cetane number (Validation set) |
| 52.65 |
CN_GRNN-MD: GRNN-MD model for cetane number (Validation set) |