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: | 900 | |
|---|---|---|
| Name: | (7R,8S)-diethyltetradecane | |
| Description: | ||
| Labels: | Paraffins | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H38/c1-5-9-11-13-15-17(7-3)18(8-4)16-14-12-10-6-2/h17-18H,5-16H2,1-4H3/t17-,18+ |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 385.14 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 415.45 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 407.78 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 411.19 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 404.88 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 67 |
experimental value |
| 57.83 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 43.37 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 55.85 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 55.3 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |