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:111-27-3
Name:1-Hexanol
Description:
Labels:
CAS:111-27-3
InChi Code:InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
430.75

experimental value

405.05

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
435.421

experimental value

416.33

Eq13: Model for enthalphy of vaporization (Training set)

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