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: | 4 | |
|---|---|---|
| Name: | 1,4-Hexadiene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 592-45-0 | |
| InChi Code: | InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 66.1 |
experimental value |
| 73.1 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| -21.1 |
experimental value |
| -13.4 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5027227 | US EPA CompTox Dashboard |