Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational483.07kJ mol-1
Total (Trans. + Rot. + Vib.)492.98kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational135.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)168.68J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.65J mol-1 K-1
Rotational123.50J mol-1 K-1
Vibrational147.46J mol-1 K-1
Total (Trans. + Rot. + Vib.)440.62J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-582.34kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 34.50 cm-1 View
  • 2 47.09 cm-1 View
  • 3 81.14 cm-1 View
  • 4 89.97 cm-1 View
  • 5 151.65 cm-1 View
  • 6 170.84 cm-1 View
  • 7 199.50 cm-1 View
  • 8 238.85 cm-1 View
  • 9 257.43 cm-1 View
  • 10 338.04 cm-1 View
  • 11 425.55 cm-1 View
  • 12 435.98 cm-1 View
  • 13 488.82 cm-1 View
  • 14 556.74 cm-1 View
  • 15 570.77 cm-1 View
  • 16 620.48 cm-1 View
  • 17 884.94 cm-1 View
  • 18 931.17 cm-1 View
  • 19 951.21 cm-1 View
  • 20 992.60 cm-1 View
  • 21 1008.04 cm-1 View
  • 22 1010.16 cm-1 View
  • 23 1019.74 cm-1 View
  • 24 1022.96 cm-1 View
  • 25 1055.26 cm-1 View
  • 26 1109.94 cm-1 View
  • 27 1135.69 cm-1 View
  • 28 1154.16 cm-1 View
  • 29 1170.31 cm-1 View
  • 30 1193.19 cm-1 View
  • 31 1262.94 cm-1 View
  • 32 1302.03 cm-1 View
  • 33 1337.81 cm-1 View
  • 34 1349.70 cm-1 View
  • 35 1359.93 cm-1 View
  • 36 1362.49 cm-1 View
  • 37 1372.23 cm-1 View
  • 38 1381.43 cm-1 View
  • 39 1387.94 cm-1 View
  • 40 1395.19 cm-1 View
  • 41 1400.55 cm-1 View
  • 42 1402.79 cm-1 View
  • 43 1405.23 cm-1 View
  • 44 1408.31 cm-1 View
  • 45 1971.68 cm-1 View
  • 46 2779.21 cm-1 View
  • 47 2941.38 cm-1 View
  • 48 3008.20 cm-1 View
  • 49 3034.04 cm-1 View
  • 50 3066.83 cm-1 View
  • 51 3083.69 cm-1 View
  • 52 3086.51 cm-1 View
  • 53 3087.53 cm-1 View
  • 54 3090.45 cm-1 View
  • 55 3142.57 cm-1 View
  • 56 3176.48 cm-1 View
  • 57 3183.00 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.96kJ mol-1
Polar Solvation Energy-22.67kJ mol-1
Nonpolar Solvation Energy26.63kJ mol-1
Surface Area133.73Å2
Charge of Molecule0
Dipole1.52Debye