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: | 231 | |
|---|---|---|
| Name: | Diisobutylamine | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 110-96-3 | |
| InChi Code: | InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 139.5 |
experimental value |
| 167.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 29 |
experimental value |
| 53.9 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5025079 | US EPA CompTox Dashboard |