10967/128 - QDB Compounds

QsarDB Repository

Abooali, D.; Sobati, M. A. Novel method for prediction of normal boiling point and enthalpy of vaporization at normal boiling point of pure refrigerants: A QSPR approach. Int. J. Refrig. 2014, 40, 282–293.

Compound

ID:79-29-8
Name:2,3-Dimethylbutane
Description:
Labels:
CAS:79-29-8
InChi Code:InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
331.08

experimental value

324.33

Eq12: Model for normal boiling point (Training set)

Hvb: Enthalphy of vaporization at normal boiling point [kJ/kg]

ValueSource or prediction
317.633

experimental value

332.39

Eq13: Model for enthalphy of vaporization (Validation set)

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