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: | 656 | |
|---|---|---|
| Name: | 6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 304 |
experimental value |
| 305.65 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 297.75 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 315.46 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 290.33 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 302.3 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 20.71 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 28.05 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -24.61 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| -11.07 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |