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: | 235 | |
|---|---|---|
| Name: | p-t-Pentylaniline | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2049-92-5 | |
| InChi Code: | InChI=1S/C11H17N/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4,12H2,1-3H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 260 |
experimental value |
| 246 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 101.7 |
experimental value |
| 97.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |