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: | 213 | |
|---|---|---|
| Name: | 2(S)-phenyltetradecane | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H34/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3/t19-/m0/s1 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 433.73 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 425.99 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 424.13 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 440.57 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 431.1 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 49 |
experimental value |
| 48.72 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 49.07 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 49.49 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 52.41 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |