Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational180.64kJ mol-1
Total (Trans. + Rot. + Vib.)190.55kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational119.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)153.04J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.94J mol-1 K-1
Rotational127.24J mol-1 K-1
Vibrational144.70J mol-1 K-1
Total (Trans. + Rot. + Vib.)444.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-1656.02kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-39.92kJ mol-1
Polar Solvation Energy-56.58kJ mol-1
Nonpolar Solvation Energy16.64kJ mol-1
Surface Area141.65Å2
Charge of Molecule0
Dipole1.34Debye