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:96-14-0
Name:3-Methylpentane
Description:
Labels:
CAS:96-14-0
InChi Code:InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
336.42

experimental value

330.74

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
325.52

experimental value

310.03

Eq13: Model for enthalphy of vaporization (Training set)

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