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: | 679 | |
|---|---|---|
| Name: | dicyclopentadiene | |
| Description: | ||
| Labels: | Naphtenes | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 305.37 |
experimental value |
| 321.3 |
FP_PLS-MD: PLS-MD model for flash point (Test set) |
| 295.71 |
FP_SVM-GD: SVM-GD model for flash point (Test set) |
| 325.53 |
FP_NN-MD: NN-MD model for flash point (Test set) |
| 296.99 |
FP_NN-GD: NN-GD model for flash point (Test set) |
| 309.88 |
FP_consensus: Consensus model for flash point (Test set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 43.7 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| 28.05 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -3.45 |
CN_NN-MD: NN-MD model for cetane number (Prediction set) |
| 11 |
CN_GRNN-MD: GRNN-MD model for cetane number (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5025023 | US EPA CompTox Dashboard |