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:662-00-0
Name:1,1,1,2,2,3,3-Heptafluorobutane
Description:
Labels:
CAS:662-00-0
InChi Code:InChI=1S/C4H3F7/c1-2(5,6)3(7,8)4(9,10)11/h1H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
288.25

experimental value

293.7

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
140.4

experimental value

158.63

Eq13: Model for enthalphy of vaporization (Training set)