Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational391.17kJ mol-1
Total (Trans. + Rot. + Vib.)401.09kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational132.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)166.05J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.38J mol-1 K-1
Rotational121.51J mol-1 K-1
Vibrational147.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)439.02J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-905.86kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 27.56 cm-1 View
  • 2 38.06 cm-1 View
  • 3 82.29 cm-1 View
  • 4 140.89 cm-1 View
  • 5 159.09 cm-1 View
  • 6 185.09 cm-1 View
  • 7 207.75 cm-1 View
  • 8 235.92 cm-1 View
  • 9 286.88 cm-1 View
  • 10 319.84 cm-1 View
  • 11 380.22 cm-1 View
  • 12 384.70 cm-1 View
  • 13 443.15 cm-1 View
  • 14 492.77 cm-1 View
  • 15 651.05 cm-1 View
  • 16 741.59 cm-1 View
  • 17 755.35 cm-1 View
  • 18 865.74 cm-1 View
  • 19 886.83 cm-1 View
  • 20 944.53 cm-1 View
  • 21 949.20 cm-1 View
  • 22 968.99 cm-1 View
  • 23 993.43 cm-1 View
  • 24 1018.78 cm-1 View
  • 25 1102.22 cm-1 View
  • 26 1121.06 cm-1 View
  • 27 1148.12 cm-1 View
  • 28 1268.88 cm-1 View
  • 29 1320.73 cm-1 View
  • 30 1348.57 cm-1 View
  • 31 1398.36 cm-1 View
  • 32 1400.04 cm-1 View
  • 33 1403.00 cm-1 View
  • 34 1407.30 cm-1 View
  • 35 1410.11 cm-1 View
  • 36 1410.30 cm-1 View
  • 37 1411.22 cm-1 View
  • 38 1416.06 cm-1 View
  • 39 2830.15 cm-1 View
  • 40 3086.18 cm-1 View
  • 41 3086.51 cm-1 View
  • 42 3088.46 cm-1 View
  • 43 3089.47 cm-1 View
  • 44 3132.83 cm-1 View
  • 45 3134.77 cm-1 View
  • 46 3184.70 cm-1 View
  • 47 3185.75 cm-1 View
  • 48 3242.26 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.92kJ mol-1
Polar Solvation Energy-37.14kJ mol-1
Nonpolar Solvation Energy27.21kJ mol-1
Surface Area119.67Å2
Charge of Molecule0
Dipole3.09Debye