Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational173.73kJ mol-1
Total (Trans. + Rot. + Vib.)183.65kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational30.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)64.00J mol-1 K-1
Entropy
PropertyValueUnit
Translational155.07J mol-1 K-1
Rotational90.63J mol-1 K-1
Vibrational13.17J mol-1 K-1
Total (Trans. + Rot. + Vib.)258.86J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation105.20kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 451.61 cm-1 View
  • 2 460.06 cm-1 View
  • 3 544.65 cm-1 View
  • 4 687.76 cm-1 View
  • 5 737.39 cm-1 View
  • 6 912.87 cm-1 View
  • 7 941.48 cm-1 View
  • 8 1023.96 cm-1 View
  • 9 1193.04 cm-1 View
  • 10 1270.12 cm-1 View
  • 11 1320.99 cm-1 View
  • 12 1509.27 cm-1 View
  • 13 1812.38 cm-1 View
  • 14 2967.25 cm-1 View
  • 15 3173.85 cm-1 View
  • 16 3180.20 cm-1 View
  • 17 3186.77 cm-1 View
  • 18 3187.38 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-264.42kJ mol-1
Polar Solvation Energy-273.57kJ mol-1
Nonpolar Solvation Energy9.11kJ mol-1
Surface Area71.85Å2
Charge of Molecule-1
Dipole1.02Debye