Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational312.76kJ mol-1
Total (Trans. + Rot. + Vib.)322.68kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational109.06J mol-1 K-1
Total (Trans. + Rot. + Vib.)142.32J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.24J mol-1 K-1
Rotational124.39J mol-1 K-1
Vibrational82.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)377.75J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation211.65kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 95.90 cm-1 View
  • 2 177.08 cm-1 View
  • 3 198.01 cm-1 View
  • 4 202.47 cm-1 View
  • 5 256.54 cm-1 View
  • 6 285.91 cm-1 View
  • 7 402.58 cm-1 View
  • 8 414.55 cm-1 View
  • 9 470.23 cm-1 View
  • 10 503.43 cm-1 View
  • 11 606.08 cm-1 View
  • 12 613.43 cm-1 View
  • 13 618.08 cm-1 View
  • 14 736.88 cm-1 View
  • 15 773.55 cm-1 View
  • 16 877.53 cm-1 View
  • 17 878.75 cm-1 View
  • 18 885.34 cm-1 View
  • 19 952.46 cm-1 View
  • 20 957.15 cm-1 View
  • 21 968.29 cm-1 View
  • 22 1001.51 cm-1 View
  • 23 1085.32 cm-1 View
  • 24 1114.70 cm-1 View
  • 25 1151.60 cm-1 View
  • 26 1192.29 cm-1 View
  • 27 1203.30 cm-1 View
  • 28 1300.21 cm-1 View
  • 29 1348.21 cm-1 View
  • 30 1416.12 cm-1 View
  • 31 1424.47 cm-1 View
  • 32 1501.20 cm-1 View
  • 33 1588.04 cm-1 View
  • 34 1640.11 cm-1 View
  • 35 1669.01 cm-1 View
  • 36 1784.69 cm-1 View
  • 37 1805.41 cm-1 View
  • 38 3052.66 cm-1 View
  • 39 3062.84 cm-1 View
  • 40 3079.66 cm-1 View
  • 41 3083.68 cm-1 View
  • 42 3457.80 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-12.76kJ mol-1
Polar Solvation Energy-28.80kJ mol-1
Nonpolar Solvation Energy16.05kJ mol-1
Surface Area136.23Å2
Charge of Molecule0
Dipole3.00Debye