Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational44.78kJ mol-1
Total (Trans. + Rot. + Vib.)54.69kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational102.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)135.85J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.81J mol-1 K-1
Rotational118.04J mol-1 K-1
Vibrational105.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)394.06J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-814.89kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2107.08kJ mol-1
Polar Solvation Energy-2148.33kJ mol-1
Nonpolar Solvation Energy41.26kJ mol-1
Surface Area93.13Å2
Charge of Molecule-3
Dipole0.00Debye