Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.
Compound
| ID: | 251 | |
|---|---|---|
| Name: | Nitrobenzene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 98-95-3 | |
| InChi Code: | InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 211 |
experimental value |
| 207.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 87.8 |
experimental value |
| 89.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020964 | US EPA CompTox Dashboard |