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: | 369 | |
|---|---|---|
| Name: | 4-Hydroxy-4-methyl-2-pentanone | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 123-42-2 | |
| InChi Code: | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 167.9 |
experimental value |
| 199.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 58 |
experimental value |
| 88.4 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024917 | US EPA CompTox Dashboard |