Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational161.66kJ mol-1
Total (Trans. + Rot. + Vib.)171.57kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational88.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)122.01J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.54J mol-1 K-1
Rotational111.21J mol-1 K-1
Vibrational93.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)369.98J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-1423.13kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-284.40kJ mol-1
Polar Solvation Energy-307.39kJ mol-1
Nonpolar Solvation Energy22.99kJ mol-1
Surface Area101.59Å2
Charge of Molecule-1
Dipole0.05Debye