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: | 706 | |
|---|---|---|
| Name: | propyldecalin | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C13H24/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h11-13H,2-10H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 382.72 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 355.31 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 370.55 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 354.87 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 365.87 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 35 |
experimental value |
| 29.44 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 35.27 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 32.26 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 42.12 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |