Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational191.57kJ mol-1
Total (Trans. + Rot. + Vib.)201.49kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational53.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)87.18J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.76J mol-1 K-1
Rotational108.17J mol-1 K-1
Vibrational58.07J mol-1 K-1
Total (Trans. + Rot. + Vib.)329.00J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation302.12kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 63.44 cm-1 View
  • 2 96.73 cm-1 View
  • 3 165.61 cm-1 View
  • 4 359.84 cm-1 View
  • 5 456.74 cm-1 View
  • 6 513.21 cm-1 View
  • 7 600.01 cm-1 View
  • 8 692.45 cm-1 View
  • 9 918.21 cm-1 View
  • 10 1183.07 cm-1 View
  • 11 1262.65 cm-1 View
  • 12 1556.58 cm-1 View
  • 13 1624.85 cm-1 View
  • 14 1639.76 cm-1 View
  • 15 1706.26 cm-1 View
  • 16 1752.09 cm-1 View
  • 17 2503.98 cm-1 View
  • 18 3009.99 cm-1 View
  • 19 3354.43 cm-1 View
  • 20 3490.44 cm-1 View
  • 21 3603.52 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-101.37kJ mol-1
Polar Solvation Energy-107.43kJ mol-1
Nonpolar Solvation Energy6.06kJ mol-1
Surface Area95.02Å2
Charge of Molecule0
Dipole12.97Debye