Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational67.60kJ mol-1
Total (Trans. + Rot. + Vib.)77.52kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational66.60J mol-1 K-1
Total (Trans. + Rot. + Vib.)99.86J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.45J mol-1 K-1
Rotational115.76J mol-1 K-1
Vibrational74.97J mol-1 K-1
Total (Trans. + Rot. + Vib.)359.18J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-18.94kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy29.92kJ mol-1
Polar Solvation Energy-2.52kJ mol-1
Nonpolar Solvation Energy32.44kJ mol-1
Surface Area93.47Å2
Charge of Molecule0
Dipole0.25Debye