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: | 711 | |
|---|---|---|
| Name: | tert-butyldecalin | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H26/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h11-13H,4-10H2,1-3H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 384.93 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 366.75 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 379.35 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 359.9 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 372.73 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 24 |
experimental value |
| 23.73 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 24.16 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 24.63 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 27.22 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |