Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational100.03kJ mol-1
Total (Trans. + Rot. + Vib.)109.95kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational43.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)76.53J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.72J mol-1 K-1
Rotational110.05J mol-1 K-1
Vibrational26.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)301.39J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-882.38kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-283.01kJ mol-1
Polar Solvation Energy-290.18kJ mol-1
Nonpolar Solvation Energy7.15kJ mol-1
Surface Area93.87Å2
Charge of Molecule-1
Dipole5.98Debye