Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational556.01kJ mol-1
Total (Trans. + Rot. + Vib.)565.93kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational150.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)183.53J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.65J mol-1 K-1
Rotational125.65J mol-1 K-1
Vibrational154.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)450.10J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-37.09kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy26.74kJ mol-1
Polar Solvation Energy-15.55kJ mol-1
Nonpolar Solvation Energy42.30kJ mol-1
Surface Area144.29Å2
Charge of Molecule0
Dipole1.81Debye