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:123-86-4
Name:Butyl Acetate
Description:
Labels:
CAS:123-86-4
InChi Code:InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
399.25

experimental value

436.14

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
312.274

experimental value

346.19

Eq13: Model for enthalphy of vaporization (Training set)

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