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: | 318 | |
|---|---|---|
| Name: | Dichloroacetyl chloride | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 79-36-7 | |
| InChi Code: | InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 109.5 |
experimental value |
| 149.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 66.1 |
experimental value |
| 78.7 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024965 | US EPA CompTox Dashboard |