Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational102.52kJ mol-1
Total (Trans. + Rot. + Vib.)112.44kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.16J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.41J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.55J mol-1 K-1
Rotational108.48J mol-1 K-1
Vibrational30.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)305.91J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation742.08kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-10.04kJ mol-1
Polar Solvation Energy-15.07kJ mol-1
Nonpolar Solvation Energy5.06kJ mol-1
Surface Area88.39Å2
Charge of Molecule0
Dipole3.00Debye