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:109-60-4
Name:Propyl Acetate
Description:
Labels:
CAS:109-60-4
InChi Code:InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
374.45

experimental value

409.24

Eq12: Model for normal boiling point (Validation set)

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

ValueSource or prediction
332.061

experimental value

354.13

Eq13: Model for enthalphy of vaporization (Validation set)

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