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:375
Name:Triethylenetetramine
Description:
Labels:Testing
CAS:112-24-3
InChi Code:InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

Properties

Tb: Boiling point [°C]

ValueSource or prediction
278

experimental value

300.3

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

Tf: Flash point [°C]

ValueSource or prediction
135

experimental value

149.4

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

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