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: | 377 | |
|---|---|---|
| Name: | 4-Chlorophenyl isocyanate | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 104-12-1 | |
| InChi Code: | InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 204 |
experimental value |
| 219.7 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 110 |
experimental value |
| 98.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7040732 | US EPA CompTox Dashboard |