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:95-73-8
Name:2,4-Dichloro-1-methylbenzene
Description:
Labels:
CAS:95-73-8
InChi Code:InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
474.15

experimental value

493.38

Eq12: Model for normal boiling point (Validation set)

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

ValueSource or prediction
310.383

experimental value

265.16

Eq13: Model for enthalphy of vaporization (Training set)

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