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:142-82-5
Name:Heptane
Description:
Labels:
CAS:142-82-5
InChi Code:InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
371.55

experimental value

360.68

Eq12: Model for normal boiling point (Validation set)

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

ValueSource or prediction
316.971

experimental value

312.17

Eq13: Model for enthalphy of vaporization (Validation set)

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