Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational507.68kJ mol-1
Total (Trans. + Rot. + Vib.)517.59kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational133.11J mol-1 K-1
Total (Trans. + Rot. + Vib.)166.37J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.73J mol-1 K-1
Rotational124.16J mol-1 K-1
Vibrational109.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)404.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-662.55kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 39.93 cm-1 View
  • 2 95.85 cm-1 View
  • 3 166.56 cm-1 View
  • 4 180.80 cm-1 View
  • 5 272.52 cm-1 View
  • 6 284.51 cm-1 View
  • 7 308.77 cm-1 View
  • 8 321.14 cm-1 View
  • 9 411.77 cm-1 View
  • 10 436.80 cm-1 View
  • 11 460.08 cm-1 View
  • 12 485.60 cm-1 View
  • 13 528.73 cm-1 View
  • 14 556.55 cm-1 View
  • 15 589.36 cm-1 View
  • 16 685.68 cm-1 View
  • 17 823.78 cm-1 View
  • 18 878.27 cm-1 View
  • 19 899.85 cm-1 View
  • 20 927.57 cm-1 View
  • 21 963.27 cm-1 View
  • 22 997.19 cm-1 View
  • 23 1024.41 cm-1 View
  • 24 1056.05 cm-1 View
  • 25 1067.98 cm-1 View
  • 26 1082.49 cm-1 View
  • 27 1104.39 cm-1 View
  • 28 1135.10 cm-1 View
  • 29 1137.07 cm-1 View
  • 30 1147.65 cm-1 View
  • 31 1153.32 cm-1 View
  • 32 1161.60 cm-1 View
  • 33 1189.80 cm-1 View
  • 34 1209.32 cm-1 View
  • 35 1226.11 cm-1 View
  • 36 1247.00 cm-1 View
  • 37 1277.19 cm-1 View
  • 38 1312.11 cm-1 View
  • 39 1333.75 cm-1 View
  • 40 1355.21 cm-1 View
  • 41 1366.97 cm-1 View
  • 42 1397.85 cm-1 View
  • 43 1402.35 cm-1 View
  • 44 1411.17 cm-1 View
  • 45 1414.93 cm-1 View
  • 46 1418.98 cm-1 View
  • 47 1450.79 cm-1 View
  • 48 1968.81 cm-1 View
  • 49 2833.07 cm-1 View
  • 50 2874.07 cm-1 View
  • 51 2954.32 cm-1 View
  • 52 2958.68 cm-1 View
  • 53 2964.46 cm-1 View
  • 54 2968.57 cm-1 View
  • 55 3033.01 cm-1 View
  • 56 3037.42 cm-1 View
  • 57 3042.32 cm-1 View
  • 58 3045.88 cm-1 View
  • 59 3850.07 cm-1 View
  • 60 3894.39 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.35kJ mol-1
Polar Solvation Energy-21.99kJ mol-1
Nonpolar Solvation Energy21.65kJ mol-1
Surface Area127.33Å2
Charge of Molecule0
Dipole2.26Debye