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:137-32-6
Name:2-Methyl-1-Butanol
Description:
Labels:
CAS:137-32-6
InChi Code:InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
400.65

experimental value

380.04

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
507.508

experimental value

437.07

Eq13: Model for enthalphy of vaporization (Validation set)

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