10967/158 - QDB Compounds

QsarDB Repository

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:381
Name:Triethylorthoformate
Description:
Labels:Testing
CAS:122-51-0
InChi Code:InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
143

experimental value

158.3

Tab7_Tb: RBF-NN model for diverse chemicals (Testing set)

Tf: Flash point [°C]

ValueSource or prediction
30

experimental value

49.2

Tab7_Tf: RBF-NN model for diverse chemicals (Testing set)