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:109-69-3
Name:1-Chlorobutane
Description:
Labels:
CAS:109-69-3
InChi Code:InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
351.55

experimental value

360.05

Eq12: Model for normal boiling point (Validation set)

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

ValueSource or prediction
328.257

experimental value

335.51

Eq13: Model for enthalphy of vaporization (Training set)

Links to External Resources