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: | 142 | |
|---|---|---|
| Name: | 4-Methyl-2-pentanone | |
| Description: | ||
| Labels: | Training | |
| CAS: | 108-10-1 | |
| InChi Code: | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 116.7 |
experimental value |
| 119.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 18 |
experimental value |
| 20.5 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021889 | US EPA CompTox Dashboard |