Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational451.12kJ mol-1
Total (Trans. + Rot. + Vib.)461.04kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational86.84J mol-1 K-1
Total (Trans. + Rot. + Vib.)120.10J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.41J mol-1 K-1
Rotational110.02J mol-1 K-1
Vibrational67.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)341.35J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation5517.72kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 164.04 cm-1 View
  • 2 172.21 cm-1 View
  • 3 173.71 cm-1 View
  • 4 174.37 cm-1 View
  • 5 332.50 cm-1 View
  • 6 332.54 cm-1 View
  • 7 451.86 cm-1 View
  • 8 451.92 cm-1 View
  • 9 451.93 cm-1 View
  • 10 669.48 cm-1 View
  • 11 766.19 cm-1 View
  • 12 766.33 cm-1 View
  • 13 766.44 cm-1 View
  • 14 1026.69 cm-1 View
  • 15 1026.79 cm-1 View
  • 16 1026.87 cm-1 View
  • 17 1059.91 cm-1 View
  • 18 1059.94 cm-1 View
  • 19 1205.81 cm-1 View
  • 20 1205.85 cm-1 View
  • 21 1205.93 cm-1 View
  • 22 1481.66 cm-1 View
  • 23 1490.98 cm-1 View
  • 24 1491.07 cm-1 View
  • 25 1491.09 cm-1 View
  • 26 1651.86 cm-1 View
  • 27 1651.95 cm-1 View
  • 28 1652.01 cm-1 View
  • 29 1652.54 cm-1 View
  • 30 1652.64 cm-1 View
  • 31 1656.78 cm-1 View
  • 32 1656.83 cm-1 View
  • 33 1656.87 cm-1 View
  • 34 3262.18 cm-1 View
  • 35 3262.21 cm-1 View
  • 36 3262.27 cm-1 View
  • 37 3266.46 cm-1 View
  • 38 3266.54 cm-1 View
  • 39 3270.40 cm-1 View
  • 40 3270.50 cm-1 View
  • 41 3270.58 cm-1 View
  • 42 3394.21 cm-1 View
  • 43 3394.45 cm-1 View
  • 44 3394.60 cm-1 View
  • 45 3402.27 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3255.81kJ mol-1
Polar Solvation Energy-3274.82kJ mol-1
Nonpolar Solvation Energy19.02kJ mol-1
Surface Area81.46Å2
Charge of Molecule4
Dipole0.03Debye