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: | 20 | |
|---|---|---|
| Name: | 3-Ethyl-4-methylhexane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 3074-77-9 | |
| InChi Code: | InChI=1S/C9H20/c1-5-8(4)9(6-2)7-3/h8-9H,5-7H2,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 140 |
experimental value |
| 137.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 24 |
experimental value |
| 25.4 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |