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:365
Name:Ethyl acetyl glycolate
Description:
Labels:Validation
CAS:623-86-9
InChi Code:InChI=1S/C6H10O4/c1-3-9-6(8)4-10-5(2)7/h3-4H2,1-2H3

Properties

Tb: Boiling point [°C]

ValueSource or prediction
179

experimental value

184.5

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

Tf: Flash point [°C]

ValueSource or prediction
82

experimental value

64.5

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