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: | 398 | |
|---|---|---|
| Name: | 2-Biphenylyl 2-chloroethyl ether | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 607-04-5 | |
| InChi Code: | InChI=1S/C14H13ClO/c15-10-11-16-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11H2 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 322.8 |
experimental value |
| 322.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 160 |
experimental value |
| 172 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |