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: | 662 | |
|---|---|---|
| Name: | cis-1,2-dimethylcyclopentane | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 269 |
experimental value |
| 265.28 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 260.24 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 270.27 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 262.43 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 264.55 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 12.8 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 13.4 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| 8.22 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 33.37 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |