Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational35.40kJ mol-1
Total (Trans. + Rot. + Vib.)45.32kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.14J mol-1 K-1
Rotational107.30J mol-1 K-1
Vibrational33.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)307.94J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-803.96kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy9.64kJ mol-1
Polar Solvation Energy-21.15kJ mol-1
Nonpolar Solvation Energy30.81kJ mol-1
Surface Area77.12Å2
Charge of Molecule0
Dipole2.51Debye