Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational594.01kJ mol-1
Total (Trans. + Rot. + Vib.)603.93kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational147.08J mol-1 K-1
Total (Trans. + Rot. + Vib.)180.33J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.65J mol-1 K-1
Rotational127.33J mol-1 K-1
Vibrational157.34J mol-1 K-1
Total (Trans. + Rot. + Vib.)455.32J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-631.90kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 35.44 cm-1 View
  • 2 40.66 cm-1 View
  • 3 57.13 cm-1 View
  • 4 74.96 cm-1 View
  • 5 101.53 cm-1 View
  • 6 149.35 cm-1 View
  • 7 182.87 cm-1 View
  • 8 272.86 cm-1 View
  • 9 334.70 cm-1 View
  • 10 401.85 cm-1 View
  • 11 433.26 cm-1 View
  • 12 458.50 cm-1 View
  • 13 472.34 cm-1 View
  • 14 504.78 cm-1 View
  • 15 552.11 cm-1 View
  • 16 706.44 cm-1 View
  • 17 797.29 cm-1 View
  • 18 810.38 cm-1 View
  • 19 841.88 cm-1 View
  • 20 879.00 cm-1 View
  • 21 918.11 cm-1 View
  • 22 933.19 cm-1 View
  • 23 963.72 cm-1 View
  • 24 980.71 cm-1 View
  • 25 1006.93 cm-1 View
  • 26 1031.73 cm-1 View
  • 27 1045.60 cm-1 View
  • 28 1074.77 cm-1 View
  • 29 1084.31 cm-1 View
  • 30 1115.22 cm-1 View
  • 31 1125.66 cm-1 View
  • 32 1135.96 cm-1 View
  • 33 1152.51 cm-1 View
  • 34 1164.09 cm-1 View
  • 35 1170.36 cm-1 View
  • 36 1175.30 cm-1 View
  • 37 1220.02 cm-1 View
  • 38 1265.23 cm-1 View
  • 39 1288.35 cm-1 View
  • 40 1314.03 cm-1 View
  • 41 1332.22 cm-1 View
  • 42 1355.91 cm-1 View
  • 43 1374.65 cm-1 View
  • 44 1385.87 cm-1 View
  • 45 1400.75 cm-1 View
  • 46 1406.09 cm-1 View
  • 47 1407.01 cm-1 View
  • 48 1411.52 cm-1 View
  • 49 1414.30 cm-1 View
  • 50 1424.11 cm-1 View
  • 51 1445.35 cm-1 View
  • 52 1448.78 cm-1 View
  • 53 1545.74 cm-1 View
  • 54 1880.09 cm-1 View
  • 55 2911.55 cm-1 View
  • 56 2918.38 cm-1 View
  • 57 2927.73 cm-1 View
  • 58 2935.33 cm-1 View
  • 59 2939.54 cm-1 View
  • 60 2947.95 cm-1 View
  • 61 3004.13 cm-1 View
  • 62 3010.03 cm-1 View
  • 63 3013.11 cm-1 View
  • 64 3021.09 cm-1 View
  • 65 3026.81 cm-1 View
  • 66 3029.31 cm-1 View
  • 67 3074.06 cm-1 View
  • 68 3079.81 cm-1 View
  • 69 3177.49 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-272.81kJ mol-1
Polar Solvation Energy-300.54kJ mol-1
Nonpolar Solvation Energy27.76kJ mol-1
Surface Area136.93Å2
Charge of Molecule-1
Dipole16.69Debye