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:111-65-9
Name:Octane
Description:
Labels:
CAS:111-65-9
InChi Code:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
398.82

experimental value

389.66

Eq12: Model for normal boiling point (Validation set)

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

ValueSource or prediction
301.155

experimental value

305.06

Eq13: Model for enthalphy of vaporization (Validation set)

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