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: | 155 | |
|---|---|---|
| Name: | Pentanoic acid | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 109-52-4 | |
| InChi Code: | InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 185.5 |
experimental value |
| 188.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 88 |
experimental value |
| 80 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021655 | US EPA CompTox Dashboard |