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: | 241 | |
|---|---|---|
| Name: | Quinoline | |
| Description: | ||
| Labels: | Training | |
| CAS: | 91-22-5 | |
| InChi Code: | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 237.1 |
experimental value |
| 229.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 92 |
experimental value |
| 91.2 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1021798 | US EPA CompTox Dashboard |