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: | 639 | |
|---|---|---|
| Name: | 2-methyl-5-propan-2-ylcyclohexa-1,3-diene | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 322 |
experimental value |
| 318.96 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 320.19 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 314.33 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 318.67 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 318.04 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 31.08 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 14.31 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 34.73 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 2.3 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |