Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational483.07kJ mol-1
Total (Trans. + Rot. + Vib.)492.98kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational135.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)168.68J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.65J mol-1 K-1
Rotational123.50J mol-1 K-1
Vibrational147.46J mol-1 K-1
Total (Trans. + Rot. + Vib.)440.62J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-582.34kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.96kJ mol-1
Polar Solvation Energy-22.67kJ mol-1
Nonpolar Solvation Energy26.63kJ mol-1
Surface Area133.73Å2
Charge of Molecule0
Dipole1.52Debye