Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational2.48kJ mol-1
Vibrational29.24kJ mol-1
Total (Trans. + Rot. + Vib.)37.92kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational8.31J mol-1 K-1
Vibrational10.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)40.09J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.36J mol-1 K-1
Rotational60.67J mol-1 K-1
Vibrational5.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)221.63J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-186.52kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-290.49kJ mol-1
Polar Solvation Energy-296.71kJ mol-1
Nonpolar Solvation Energy6.23kJ mol-1
Surface Area63.69Å2
Charge of Molecule-1
Dipole1.88Debye