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: | 339 | |
|---|---|---|
| Name: | (9Z,12Z)-octadeca-9,12-dienoic acid | |
| Description: | ||
| Labels: | Esters | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 348.44 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 370.16 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 404.8 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 381.04 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 376.11 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 31.4 |
experimental value |
| 25.51 |
CN_SVM-GD: SVM-GD model for cetane number (Unreliable experimental values) |
| 32.04 |
CN_SVM-MD: SVM-MD model for cetane number (Unreliable experimental values) |
| 31.69 |
CN_NN-MD: NN-MD model for cetane number (Unreliable experimental values) |
| 55.45 |
CN_GRNN-MD: GRNN-MD model for cetane number (Unreliable experimental values) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2025505 | US EPA CompTox Dashboard |