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: | 118 | |
|---|---|---|
| Name: | Methyl p-t-pentylphenyl ether | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2050-03-5 | |
| InChi Code: | InChI=1S/C12H18O/c1-5-12(2,3)10-6-8-11(13-4)9-7-10/h6-9H,5H2,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 238.9 |
experimental value |
| 237.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 98.9 |
experimental value |
| 100.8 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |