Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational541.30kJ mol-1
Total (Trans. + Rot. + Vib.)551.22kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational134.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)167.92J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.93J mol-1 K-1
Rotational125.01J mol-1 K-1
Vibrational134.06J mol-1 K-1
Total (Trans. + Rot. + Vib.)429.00J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation8.38kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.34kJ mol-1
Polar Solvation Energy-12.04kJ mol-1
Nonpolar Solvation Energy25.37kJ mol-1
Surface Area134.76Å2
Charge of Molecule0
Dipole2.81Debye