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: | 290 | |
|---|---|---|
| Name: | 2-Chlorobutane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 78-86-4 | |
| InChi Code: | InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 68.3 |
experimental value |
| 59.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| -15 |
experimental value |
| -8.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9023966 | US EPA CompTox Dashboard |