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:513-53-1
Name:2-Butanethiol
Description:
Labels:
CAS:513-53-1
InChi Code:InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
358.15

experimental value

380.4

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
339.1

experimental value

346.61

Eq13: Model for enthalphy of vaporization (Training set)

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