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: | 380 | |
|---|---|---|
| Name: | Furfuryl acetate | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 623-17-6 | |
| InChi Code: | InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 183 |
experimental value |
| 172.8 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 85 |
experimental value |
| 55.5 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7025346 | US EPA CompTox Dashboard |