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:49
Name:o-Diethylbenzene
Description:
Labels:Training
CAS:135-01-3
InChi Code:InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
183.3

experimental value

187.6

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

Tf: Flash point [°C]

ValueSource or prediction
57.2

experimental value

59.1

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

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