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: | 18 | |
|---|---|---|
| Name: | 2,2,4-Trimethylpentane | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 540-84-1 | |
| InChi Code: | InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 99.2 |
experimental value |
| 97.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| -12 |
experimental value |
| 1.3 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024370 | US EPA CompTox Dashboard |