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:591-76-4
Name:2-Methylhexane
Description:
Labels:
CAS:591-76-4
InChi Code:InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
363.19

experimental value

359.13

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
305.5

experimental value

312.79

Eq13: Model for enthalphy of vaporization (Training set)

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