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: | 96 | |
|---|---|---|
| Name: | o-t-Pentylphenol | |
| Description: | ||
| Labels: | Testing | |
| CAS: | 3279-27-4 | |
| InChi Code: | InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 232.2 |
experimental value |
| 237.3 |
Tab7_Tb: RBF-NN model for diverse chemicals (Testing set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 103.9 |
experimental value |
| 106.6 |
Tab7_Tf: RBF-NN model for diverse chemicals (Testing set) |