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: | 5 | |
|---|---|---|
| Name: | (9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol | |
| Description: | ||
| Labels: | Alcohols | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9- |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 433.5 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 375.46 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 381.86 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 404.24 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 398.76 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 41 |
experimental value |
| 40.73 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 37.25 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 35.38 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 43.21 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |