Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational504.27kJ mol-1
Total (Trans. + Rot. + Vib.)514.19kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational144.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)178.01J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.38J mol-1 K-1
Rotational126.66J mol-1 K-1
Vibrational155.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)452.79J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-330.89kJ mol-1

Molecular Orbitals


Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy9.26kJ mol-1
Polar Solvation Energy-19.64kJ mol-1
Nonpolar Solvation Energy28.93kJ mol-1
Surface Area135.81Å2
Charge of Molecule0
Dipole2.11Debye