Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational39.43kJ mol-1
Total (Trans. + Rot. + Vib.)49.35kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational14.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)47.91J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.81J mol-1 K-1
Rotational97.44J mol-1 K-1
Vibrational6.64J mol-1 K-1
Total (Trans. + Rot. + Vib.)263.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-221.08kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-1093.22kJ mol-1
Polar Solvation Energy-1099.91kJ mol-1
Nonpolar Solvation Energy6.65kJ mol-1
Surface Area71.68Å2
Charge of Molecule-2
Dipole0.01Debye