Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational53.09kJ mol-1
Total (Trans. + Rot. + Vib.)63.00kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational83.47J mol-1 K-1
Total (Trans. + Rot. + Vib.)116.73J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.90J mol-1 K-1
Rotational113.63J mol-1 K-1
Vibrational61.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)345.95J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-1273.02kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy32.52kJ mol-1
Polar Solvation Energy-8.82kJ mol-1
Nonpolar Solvation Energy41.38kJ mol-1
Surface Area86.37Å2
Charge of Molecule0
Dipole0.00Debye