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:75-33-2
Name:2-Propanethiol
Description:
Labels:
CAS:75-33-2
InChi Code:InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
325.75

experimental value

351.68

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
366.37

experimental value

385.52

Eq13: Model for enthalphy of vaporization (Training set)

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