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:592-41-6
Name:1-Hexene
Description:
Labels:
CAS:592-41-6
InChi Code:InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
336.63

experimental value

335.72

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
340.247

experimental value

337.5

Eq13: Model for enthalphy of vaporization (Validation set)

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