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: | 130 | |
|---|---|---|
| Name: | Benzaldehyde | |
| Description: | ||
| Labels: | Training | |
| CAS: | 100-52-7 | |
| InChi Code: | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 178 |
experimental value |
| 163 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 63 |
experimental value |
| 47.8 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8039241 | US EPA CompTox Dashboard |