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: | 41 | |
|---|---|---|
| Name: | alpha-Methylstyrene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 98-83-9 | |
| InChi Code: | InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 163.5 |
experimental value |
| 160.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 53.9 |
experimental value |
| 42.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9025661 | US EPA CompTox Dashboard |