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: | 197 | |
|---|---|---|
| Name: | p-t-Pentylphenyl acetate | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 6487-60-1 | |
| InChi Code: | InChI=1S/C13H18O2/c1-5-13(3,4)11-6-8-12(9-7-11)15-10(2)14/h6-9H,5H2,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 265 |
experimental value |
| 304.5 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 115.6 |
experimental value |
| 130.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |