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: | 83 | |
|---|---|---|
| Name: | 2-Phenylethanol | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 60-12-8 | |
| InChi Code: | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 218.9 |
experimental value |
| 226.2 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 102 |
experimental value |
| 100.5 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9026342 | US EPA CompTox Dashboard |