Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational215.98kJ mol-1
Total (Trans. + Rot. + Vib.)225.90kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational36.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)69.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational160.81J mol-1 K-1
Rotational101.66J mol-1 K-1
Vibrational12.67J mol-1 K-1
Total (Trans. + Rot. + Vib.)275.14J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation66.51kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 533.54 cm-1 View
  • 2 533.62 cm-1 View
  • 3 691.21 cm-1 View
  • 4 736.92 cm-1 View
  • 5 736.94 cm-1 View
  • 6 848.69 cm-1 View
  • 7 848.71 cm-1 View
  • 8 868.31 cm-1 View
  • 9 868.35 cm-1 View
  • 10 1061.52 cm-1 View
  • 11 1061.58 cm-1 View
  • 12 1094.22 cm-1 View
  • 13 1094.35 cm-1 View
  • 14 1226.81 cm-1 View
  • 15 1441.30 cm-1 View
  • 16 1514.02 cm-1 View
  • 17 1514.14 cm-1 View
  • 18 1594.91 cm-1 View
  • 19 1594.92 cm-1 View
  • 20 3141.12 cm-1 View
  • 21 3141.19 cm-1 View
  • 22 3151.70 cm-1 View
  • 23 3151.74 cm-1 View
  • 24 3171.26 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-256.84kJ mol-1
Polar Solvation Energy-264.81kJ mol-1
Nonpolar Solvation Energy7.94kJ mol-1
Surface Area75.90Å2
Charge of Molecule-1
Dipole0.03Debye