Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational82.45kJ mol-1
Total (Trans. + Rot. + Vib.)92.36kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational28.43J mol-1 K-1
Total (Trans. + Rot. + Vib.)61.69J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.08J mol-1 K-1
Rotational102.92J mol-1 K-1
Vibrational12.48J mol-1 K-1
Total (Trans. + Rot. + Vib.)277.47J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation1474.89kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.45kJ mol-1
Polar Solvation Energy-0.37kJ mol-1
Nonpolar Solvation Energy5.81kJ mol-1
Surface Area94.65Å2
Charge of Molecule0
Dipole0.00Debye