Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational504.27kJ mol-1
Total (Trans. + Rot. + Vib.)514.19kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational144.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)178.01J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.38J mol-1 K-1
Rotational126.66J mol-1 K-1
Vibrational155.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)452.79J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-330.89kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 18.04 cm-1 View
  • 2 38.68 cm-1 View
  • 3 72.38 cm-1 View
  • 4 105.80 cm-1 View
  • 5 132.11 cm-1 View
  • 6 188.57 cm-1 View
  • 7 224.31 cm-1 View
  • 8 246.59 cm-1 View
  • 9 266.97 cm-1 View
  • 10 379.61 cm-1 View
  • 11 419.78 cm-1 View
  • 12 472.49 cm-1 View
  • 13 507.52 cm-1 View
  • 14 522.92 cm-1 View
  • 15 566.09 cm-1 View
  • 16 604.47 cm-1 View
  • 17 655.51 cm-1 View
  • 18 773.57 cm-1 View
  • 19 806.35 cm-1 View
  • 20 825.31 cm-1 View
  • 21 934.94 cm-1 View
  • 22 950.75 cm-1 View
  • 23 981.83 cm-1 View
  • 24 995.69 cm-1 View
  • 25 1011.90 cm-1 View
  • 26 1028.84 cm-1 View
  • 27 1044.64 cm-1 View
  • 28 1064.56 cm-1 View
  • 29 1088.63 cm-1 View
  • 30 1097.74 cm-1 View
  • 31 1118.58 cm-1 View
  • 32 1152.85 cm-1 View
  • 33 1172.51 cm-1 View
  • 34 1192.18 cm-1 View
  • 35 1215.55 cm-1 View
  • 36 1235.23 cm-1 View
  • 37 1263.97 cm-1 View
  • 38 1350.07 cm-1 View
  • 39 1367.82 cm-1 View
  • 40 1385.60 cm-1 View
  • 41 1390.95 cm-1 View
  • 42 1405.89 cm-1 View
  • 43 1416.19 cm-1 View
  • 44 1455.58 cm-1 View
  • 45 1474.78 cm-1 View
  • 46 1861.24 cm-1 View
  • 47 1923.69 cm-1 View
  • 48 1976.45 cm-1 View
  • 49 2924.78 cm-1 View
  • 50 2940.64 cm-1 View
  • 51 3017.24 cm-1 View
  • 52 3019.09 cm-1 View
  • 53 3022.06 cm-1 View
  • 54 3025.22 cm-1 View
  • 55 3045.48 cm-1 View
  • 56 3048.62 cm-1 View
  • 57 3050.51 cm-1 View
  • 58 3070.62 cm-1 View
  • 59 3158.58 cm-1 View
  • 60 3852.92 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy9.26kJ mol-1
Polar Solvation Energy-19.64kJ mol-1
Nonpolar Solvation Energy28.93kJ mol-1
Surface Area135.81Å2
Charge of Molecule0
Dipole2.11Debye