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: | 261 | |
|---|---|---|
| Name: | sec-(R)-butyltetralin | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H20/c1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3/t11-,13?/m1/s1 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 400.85 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 387.62 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 385.96 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 379.21 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 388.41 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 7 |
experimental value |
| 6.72 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 7.24 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 11.58 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 9.2 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |