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:79-00-5
Name:1,1,2-Trichloroethane
Description:
Labels:
CAS:79-00-5
InChi Code:InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
386.65

experimental value

373.74

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
259.52

experimental value

234.98

Eq13: Model for enthalphy of vaporization (Validation set)

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