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: | 7 | |
|---|---|---|
| Name: | (9Z)-hexadec-9-en-1-ol | |
| Description: | ||
| Labels: | Alcohols | |
| CAS: | ||
| InChi Code: | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3/b8-7- |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 380.24 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 418.04 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 389.26 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 431.34 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 404.72 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 46 |
experimental value |
| 46.85 |
CN_SVM-GD: SVM-GD model for cetane number (Test set) |
| 47.9 |
CN_SVM-MD: SVM-MD model for cetane number (Test set) |
| 49.95 |
CN_NN-MD: NN-MD model for cetane number (Test set) |
| 71.8 |
CN_GRNN-MD: GRNN-MD model for cetane number (Test set) |