Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational130.63kJ mol-1
Total (Trans. + Rot. + Vib.)140.54kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational20.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)53.38J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.26J mol-1 K-1
Rotational90.10J mol-1 K-1
Vibrational13.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)261.48J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-116.49kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-84.33kJ mol-1
Polar Solvation Energy-107.79kJ mol-1
Nonpolar Solvation Energy23.49kJ mol-1
Surface Area77.36Å2
Charge of Molecule0
Dipole10.44Debye