10967/128 - QDB Compounds

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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:589-34-4
Name:3-Methylhexane
Description:
Labels:
CAS:589-34-4
InChi Code:InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
365.15

experimental value

360.32

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
308.29

experimental value

312.97

Eq13: Model for enthalphy of vaporization (Training set)

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