Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational75.06kJ mol-1
Total (Trans. + Rot. + Vib.)84.98kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational124.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)157.28J mol-1 K-1
Entropy
PropertyValueUnit
Translational174.82J mol-1 K-1
Rotational128.78J mol-1 K-1
Vibrational160.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)464.47J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-508.80kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-79.14kJ mol-1
Polar Solvation Energy-89.53kJ mol-1
Nonpolar Solvation Energy10.41kJ mol-1
Surface Area161.71Å2
Charge of Molecule0
Dipole6.46Debye