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: | 97 | |
|---|---|---|
| Name: | p-t-Butyl-o-cresol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 98-27-1 | |
| InChi Code: | InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 287.5 |
experimental value |
| 233.4 |
Tab7_Tb: RBF-NN model for diverse chemicals (Training set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 117.8 |
experimental value |
| 103.9 |
Tab7_Tf: RBF-NN model for diverse chemicals (Training set) |