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:234
Name:Dipentylamine
Description:
Labels:Testing
CAS:2050-92-2
InChi Code:InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
180

experimental value

223.1

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

Tf: Flash point [°C]

ValueSource or prediction
51

experimental value

89.6

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

Links to External Resources