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:75-29-6
Name:2-Chloropropane
Description:
Labels:
CAS:75-29-6
InChi Code:InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
308.85

experimental value

321.08

Eq12: Model for normal boiling point (Validation set)

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

ValueSource or prediction
334.82

experimental value

342.08

Eq13: Model for enthalphy of vaporization (Training set)

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