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: | 279 | |
|---|---|---|
| Name: | Methyl isothiocyanate | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 556-61-6 | |
| InChi Code: | InChI=1S/C2H3NS/c1-3-2-4/h1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 119 |
experimental value |
| 100.8 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 32.2 |
experimental value |
| 17 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2027204 | US EPA CompTox Dashboard |