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: | 276 | |
|---|---|---|
| Name: | Di-tert-butyl sulfide | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 107-47-1 | |
| InChi Code: | InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 151 |
experimental value |
| 158.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 48 |
experimental value |
| 47.8 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021887 | US EPA CompTox Dashboard |