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: | 335 | |
|---|---|---|
| Name: | 2-Chloroethyl acetate | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 542-58-5 | |
| InChi Code: | InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3 |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 143.9 |
experimental value |
| 118.6 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 66.1 |
experimental value |
| 37.2 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |