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: | 115 | |
|---|---|---|
| Name: | Phenetole | |
| Description: | ||
| Labels: | Training | |
| CAS: | 103-73-1 | |
| InChi Code: | InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 170 |
experimental value |
| 166.7 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 62.8 |
experimental value |
| 59.9 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7059278 | US EPA CompTox Dashboard |