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: | 185 | |
|---|---|---|
| Name: | 1,3-diphenylbenzene | |
| Description: | ||
| Labels: | Aromatics | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 464 |
experimental value |
| 473.13 |
FP_PLS-MD: PLS-MD model for flash point (Training set) |
| 462.2 |
FP_SVM-GD: SVM-GD model for flash point (Training set) |
| 447.28 |
FP_NN-MD: NN-MD model for flash point (Training set) |
| 457.93 |
FP_NN-GD: NN-GD model for flash point (Training set) |
| 460.14 |
FP_consensus: Consensus model for flash point (Training set) |
CN: Cetane number
| Value | Source or prediction |
|---|---|
| 8.21 |
CN_SVM-GD: SVM-GD model for cetane number (Prediction set) |
| -0.24 |
CN_SVM-MD: SVM-MD model for cetane number (Prediction set) |
| -18.34 |
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 |
|---|---|
| DTXSID2029117 | US EPA CompTox Dashboard |