Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational219.74kJ mol-1
Total (Trans. + Rot. + Vib.)229.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational94.22J mol-1 K-1
Total (Trans. + Rot. + Vib.)127.48J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.20J mol-1 K-1
Rotational121.73J mol-1 K-1
Vibrational96.71J mol-1 K-1
Total (Trans. + Rot. + Vib.)388.63J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-480.41kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 56.75 cm-1 View
  • 2 76.04 cm-1 View
  • 3 105.68 cm-1 View
  • 4 187.60 cm-1 View
  • 5 243.03 cm-1 View
  • 6 288.71 cm-1 View
  • 7 337.36 cm-1 View
  • 8 356.49 cm-1 View
  • 9 433.18 cm-1 View
  • 10 452.73 cm-1 View
  • 11 583.39 cm-1 View
  • 12 672.69 cm-1 View
  • 13 733.89 cm-1 View
  • 14 916.55 cm-1 View
  • 15 974.14 cm-1 View
  • 16 1005.80 cm-1 View
  • 17 1057.68 cm-1 View
  • 18 1120.45 cm-1 View
  • 19 1172.36 cm-1 View
  • 20 1294.13 cm-1 View
  • 21 1367.32 cm-1 View
  • 22 1370.96 cm-1 View
  • 23 1394.89 cm-1 View
  • 24 1448.00 cm-1 View
  • 25 1850.82 cm-1 View
  • 26 1967.40 cm-1 View
  • 27 2922.83 cm-1 View
  • 28 2929.66 cm-1 View
  • 29 3009.43 cm-1 View
  • 30 3887.05 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy0.00kJ mol-1
Polar Solvation Energy0.00kJ mol-1
Nonpolar Solvation Energy0.00kJ mol-1
Surface AreaÅ2
Charge of Molecule0
Dipole0.00Debye