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:78-78-4
Name:Isopentane
Description:
Labels:
CAS:78-78-4
InChi Code:InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
301.03

experimental value

298.45

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
342.11

experimental value

333.71

Eq13: Model for enthalphy of vaporization (Training set)

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