Propa-1,2-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational145.77kJ mol-1
Total (Trans. + Rot. + Vib.)155.69kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational25.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)58.41J mol-1 K-1
Entropy
PropertyValueUnit
Translational154.76J mol-1 K-1
Rotational87.11J mol-1 K-1
Vibrational12.24J mol-1 K-1
Total (Trans. + Rot. + Vib.)254.12J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation196.73kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.25kJ mol-1
Polar Solvation Energy-2.41kJ mol-1
Nonpolar Solvation Energy12.67kJ mol-1
Surface Area68.30Å2
Charge of Molecule0
Dipole0.00Debye