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: | 160 | |
|---|---|---|
| Name: | Octanoic acid | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 124-07-2 | |
| InChi Code: | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 32 |
experimental value |
| 27.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| -19 |
experimental value |
| -24 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3021645 | US EPA CompTox Dashboard |