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: | 254 | |
|---|---|---|
| Name: | 1-Nitronaphthalene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 86-57-7 | |
| InChi Code: | InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 304 |
experimental value |
| 303.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 164 |
experimental value |
| 159 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020978 | US EPA CompTox Dashboard |