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:589-53-7
Name:4-Methylheptane
Description:
Labels:
CAS:589-53-7
InChi Code:InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
390.87

experimental value

389.78

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
291.88

experimental value

299.62

Eq13: Model for enthalphy of vaporization (Validation set)

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