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: | 823 | |
|---|---|---|
| Name: | dec-1,9-diene | |
| Description: | ||
| Labels: | Olefins | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 308.15 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 309.64 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 319.77 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 305.29 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 310.71 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 40 |
experimental value |
| 40.27 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 40.29 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 40.16 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 22.51 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |