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: | 157 | |
|---|---|---|
| Name: | 2-Methylvaleric acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 97-61-0 | |
| InChi Code: | InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 200.5 |
experimental value |
| 208.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 91.1 |
experimental value |
| 92.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021633 | US EPA CompTox Dashboard |