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:431-63-0
Name:1,1,1,2,3,3-Hexafluoropropane
Description:
Labels:
CAS:431-63-0
InChi Code:InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
279.35

experimental value

255.49

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
165.2

experimental value

125.68

Eq13: Model for enthalphy of vaporization (Validation set)