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: | 399 | |
|---|---|---|
| Name: | Diallyl phthalate | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 131-17-9 | |
| InChi Code: | InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 298 |
experimental value |
| 382.1 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 165.6 |
experimental value |
| 166.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7020392 | US EPA CompTox Dashboard |