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: | 221 | |
|---|---|---|
| Name: | 5-butyl-5-phenyltetradecane | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H42/c1-4-7-10-11-12-13-17-22-24(20-8-5-2,21-9-6-3)23-18-15-14-16-19-23/h14-16,18-19H,4-13,17,20-22H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 557.95 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 456.15 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 441.82 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 469.47 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 481.34 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 58 |
experimental value |
| 61.84 |
CN_SVM-GD: SVM-GD model for cetane number (Unreliable experimental values) |
| 20.81 |
CN_SVM-MD: SVM-MD model for cetane number (Unreliable experimental values) |
| 19.97 |
CN_NN-MD: NN-MD model for cetane number (Unreliable experimental values) |
| 35.43 |
CN_GRNN-MD: GRNN-MD model for cetane number (Unreliable experimental values) |