Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.65kJ mol-1
Total (Trans. + Rot. + Vib.)234.57kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.59J mol-1 K-1
Vibrational29.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.09J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.72kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.81kJ mol-1
Polar Solvation Energy-2.66kJ mol-1
Nonpolar Solvation Energy13.46kJ mol-1
Surface Area77.84Å2
Charge of Molecule0
Dipole0.00Debye