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: | 359 | |
|---|---|---|
| Name: | 1-Chloro-2,4-dinitrobenzene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 97-00-7 | |
| InChi Code: | InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 315 |
experimental value |
| 348.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 194 |
experimental value |
| 207.4 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020278 | US EPA CompTox Dashboard |