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: | 379 | |
|---|---|---|
| Name: | Salicylaldehyde | |
| Description: | ||
| Labels: | Training | |
| CAS: | 90-02-8 | |
| InChi Code: | InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 195 |
experimental value |
| 226 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 77.8 |
experimental value |
| 101.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021792 | US EPA CompTox Dashboard |