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: | 699 | |
|---|---|---|
| Name: | octyldecalin | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H34/c1-2-3-4-5-6-7-11-16-13-10-14-17-12-8-9-15-18(16)17/h16-18H,2-15H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 466.95 |
FP_PLS-MD: PLS-MD model for flash point (Prediction set) |
| 407.99 |
FP_SVM-GD: SVM-GD model for flash point (Prediction set) |
| 420.02 |
FP_NN-MD: NN-MD model for flash point (Prediction set) |
| 421.58 |
FP_NN-GD: NN-GD model for flash point (Prediction set) |
| 429.15 |
FP_consensus: Consensus model for flash point (Prediction set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 31 |
experimental value |
| 31.59 |
CN_SVM-GD: SVM-GD model for cetane number (Training set) |
| 47.38 |
CN_SVM-MD: SVM-MD model for cetane number (Training set) |
| 40.8 |
CN_NN-MD: NN-MD model for cetane number (Training set) |
| 41.78 |
CN_GRNN-MD: GRNN-MD model for cetane number (Training set) |