Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational237.67kJ mol-1
Total (Trans. + Rot. + Vib.)247.59kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational53.18J mol-1 K-1
Total (Trans. + Rot. + Vib.)86.44J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.40J mol-1 K-1
Rotational107.55J mol-1 K-1
Vibrational41.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)312.68J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-452.75kJ mol-1

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.43kJ mol-1
Polar Solvation Energy-15.06kJ mol-1
Nonpolar Solvation Energy22.53kJ mol-1
Surface Area82.86Å2
Charge of Molecule0
Dipole2.94Debye