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: | 395 | |
|---|---|---|
| Name: | 2-Chloro-4-t-pentylphenyl methyl ether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | ||
| InChi Code: | InChI=1S/C12H17ClO/c1-5-12(2,3)9-6-7-11(14-4)10(13)8-9/h6-8H,5H2,1-4H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 273 |
experimental value |
| 266.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 110 |
experimental value |
| 129 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |