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:590-19-2
Name:1,2-Butadiene
Description:
Labels:
CAS:590-19-2
InChi Code:InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3

Properties

Tb: Normal boiling point [K]

ValueSource or prediction
284.05

experimental value

283.5

Eq12: Model for normal boiling point (Training set)

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

ValueSource or prediction
443.993

experimental value

382.4

Eq13: Model for enthalphy of vaporization (Validation set)

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