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: | 327 | |
|---|---|---|
| Name: | 2,3-Dichloro-1-propanol | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 616-23-9 | |
| InChi Code: | InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 182 |
experimental value |
| 170.7 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 93.3 |
experimental value |
| 91 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2024038 | US EPA CompTox Dashboard |