Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational130.93kJ mol-1
Total (Trans. + Rot. + Vib.)140.84kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)76.03J mol-1 K-1
Entropy
PropertyValueUnit
Translational160.02J mol-1 K-1
Rotational97.72J mol-1 K-1
Vibrational27.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)285.01J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-298.98kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.90kJ mol-1
Polar Solvation Energy-31.78kJ mol-1
Nonpolar Solvation Energy22.91kJ mol-1
Surface Area86.40Å2
Charge of Molecule0
Dipole4.99Debye