Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational507.68kJ mol-1
Total (Trans. + Rot. + Vib.)517.59kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational133.11J mol-1 K-1
Total (Trans. + Rot. + Vib.)166.37J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.73J mol-1 K-1
Rotational124.16J mol-1 K-1
Vibrational109.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)404.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-662.55kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.35kJ mol-1
Polar Solvation Energy-21.99kJ mol-1
Nonpolar Solvation Energy21.65kJ mol-1
Surface Area127.33Å2
Charge of Molecule0
Dipole2.26Debye