Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational506.13kJ mol-1
Total (Trans. + Rot. + Vib.)516.05kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational132.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)165.49J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.73J mol-1 K-1
Rotational123.28J mol-1 K-1
Vibrational100.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)394.55J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-460.54kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 57.31 cm-1 View
  • 2 107.06 cm-1 View
  • 3 216.36 cm-1 View
  • 4 226.93 cm-1 View
  • 5 292.78 cm-1 View
  • 6 301.92 cm-1 View
  • 7 358.02 cm-1 View
  • 8 374.95 cm-1 View
  • 9 377.40 cm-1 View
  • 10 416.27 cm-1 View
  • 11 453.26 cm-1 View
  • 12 464.71 cm-1 View
  • 13 508.16 cm-1 View
  • 14 537.55 cm-1 View
  • 15 634.32 cm-1 View
  • 16 706.26 cm-1 View
  • 17 846.06 cm-1 View
  • 18 863.03 cm-1 View
  • 19 895.02 cm-1 View
  • 20 946.16 cm-1 View
  • 21 978.26 cm-1 View
  • 22 995.33 cm-1 View
  • 23 1022.37 cm-1 View
  • 24 1045.17 cm-1 View
  • 25 1069.55 cm-1 View
  • 26 1082.51 cm-1 View
  • 27 1096.25 cm-1 View
  • 28 1105.71 cm-1 View
  • 29 1115.90 cm-1 View
  • 30 1139.01 cm-1 View
  • 31 1149.68 cm-1 View
  • 32 1158.14 cm-1 View
  • 33 1179.24 cm-1 View
  • 34 1191.37 cm-1 View
  • 35 1230.33 cm-1 View
  • 36 1237.10 cm-1 View
  • 37 1284.08 cm-1 View
  • 38 1299.41 cm-1 View
  • 39 1330.27 cm-1 View
  • 40 1340.18 cm-1 View
  • 41 1381.98 cm-1 View
  • 42 1389.58 cm-1 View
  • 43 1398.38 cm-1 View
  • 44 1408.15 cm-1 View
  • 45 1412.07 cm-1 View
  • 46 1426.18 cm-1 View
  • 47 1492.91 cm-1 View
  • 48 1610.22 cm-1 View
  • 49 2830.12 cm-1 View
  • 50 2881.06 cm-1 View
  • 51 2902.91 cm-1 View
  • 52 2949.17 cm-1 View
  • 53 2953.92 cm-1 View
  • 54 2963.10 cm-1 View
  • 55 3030.57 cm-1 View
  • 56 3053.95 cm-1 View
  • 57 3081.77 cm-1 View
  • 58 3169.15 cm-1 View
  • 59 3849.71 cm-1 View
  • 60 3878.11 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.48kJ mol-1
Polar Solvation Energy-27.07kJ mol-1
Nonpolar Solvation Energy17.56kJ mol-1
Surface Area126.61Å2
Charge of Molecule0
Dipole4.09Debye