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: | 107 | |
|---|---|---|
| Name: | 3,4-Dihydro-2H-pyran | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 110-87-2 | |
| InChi Code: | InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 86 |
experimental value |
| 79.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| -18 |
experimental value |
| -2.8 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6041426 | US EPA CompTox Dashboard |