Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.17kJ mol-1
Total (Trans. + Rot. + Vib.)351.08kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational85.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)118.41J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.67J mol-1 K-1
Rotational115.81J mol-1 K-1
Vibrational74.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)357.41J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-38.09kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 72.78 cm-1 View
  • 2 99.56 cm-1 View
  • 3 176.89 cm-1 View
  • 4 223.94 cm-1 View
  • 5 306.23 cm-1 View
  • 6 328.38 cm-1 View
  • 7 423.76 cm-1 View
  • 8 530.72 cm-1 View
  • 9 599.24 cm-1 View
  • 10 660.68 cm-1 View
  • 11 880.11 cm-1 View
  • 12 909.52 cm-1 View
  • 13 947.94 cm-1 View
  • 14 965.79 cm-1 View
  • 15 1000.26 cm-1 View
  • 16 1023.34 cm-1 View
  • 17 1060.24 cm-1 View
  • 18 1083.99 cm-1 View
  • 19 1139.35 cm-1 View
  • 20 1174.60 cm-1 View
  • 21 1199.10 cm-1 View
  • 22 1215.99 cm-1 View
  • 23 1284.15 cm-1 View
  • 24 1314.35 cm-1 View
  • 25 1372.13 cm-1 View
  • 26 1392.58 cm-1 View
  • 27 1395.13 cm-1 View
  • 28 1399.09 cm-1 View
  • 29 1406.11 cm-1 View
  • 30 1861.37 cm-1 View
  • 31 2918.06 cm-1 View
  • 32 2945.34 cm-1 View
  • 33 3018.68 cm-1 View
  • 34 3028.99 cm-1 View
  • 35 3078.70 cm-1 View
  • 36 3087.77 cm-1 View
  • 37 3134.49 cm-1 View
  • 38 3147.10 cm-1 View
  • 39 3177.42 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy26.69kJ mol-1
Polar Solvation Energy-6.87kJ mol-1
Nonpolar Solvation Energy33.57kJ mol-1
Surface Area111.22Å2
Charge of Molecule0
Dipole2.09Debye