Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational95.48kJ mol-1
Total (Trans. + Rot. + Vib.)105.39kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational12.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)46.22J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.36J mol-1 K-1
Rotational84.29J mol-1 K-1
Vibrational4.91J mol-1 K-1
Total (Trans. + Rot. + Vib.)244.56J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation72.03kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.03kJ mol-1
Polar Solvation Energy-14.63kJ mol-1
Nonpolar Solvation Energy24.66kJ mol-1
Surface Area87.51Å2
Charge of Molecule0
Dipole3.06Debye