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: | 366 | |
|---|---|---|
| Name: | Adipic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 124-04-9 | |
| InChi Code: | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 354.8 |
experimental value |
| 346.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 196 |
experimental value |
| 202.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021605 | US EPA CompTox Dashboard |