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:37
Name:o-Xylene
Description:
Labels:Training
CAS:95-47-6
InChi Code:InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
144.4

experimental value

144.1

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

Tf: Flash point [°C]

ValueSource or prediction
32

experimental value

32.9

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

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