Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational502.76kJ mol-1
Total (Trans. + Rot. + Vib.)512.67kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational145.47J mol-1 K-1
Total (Trans. + Rot. + Vib.)178.72J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.65J mol-1 K-1
Rotational127.79J mol-1 K-1
Vibrational155.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)453.05J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation313.78kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 37.52 cm-1 View
  • 2 52.76 cm-1 View
  • 3 62.91 cm-1 View
  • 4 84.46 cm-1 View
  • 5 102.87 cm-1 View
  • 6 136.98 cm-1 View
  • 7 186.15 cm-1 View
  • 8 260.98 cm-1 View
  • 9 301.87 cm-1 View
  • 10 329.72 cm-1 View
  • 11 398.97 cm-1 View
  • 12 431.22 cm-1 View
  • 13 509.88 cm-1 View
  • 14 579.82 cm-1 View
  • 15 595.28 cm-1 View
  • 16 621.76 cm-1 View
  • 17 697.35 cm-1 View
  • 18 790.88 cm-1 View
  • 19 884.15 cm-1 View
  • 20 911.82 cm-1 View
  • 21 920.34 cm-1 View
  • 22 928.08 cm-1 View
  • 23 933.33 cm-1 View
  • 24 939.82 cm-1 View
  • 25 946.73 cm-1 View
  • 26 975.61 cm-1 View
  • 27 998.52 cm-1 View
  • 28 1031.42 cm-1 View
  • 29 1032.80 cm-1 View
  • 30 1111.24 cm-1 View
  • 31 1142.81 cm-1 View
  • 32 1155.64 cm-1 View
  • 33 1177.12 cm-1 View
  • 34 1196.41 cm-1 View
  • 35 1202.48 cm-1 View
  • 36 1231.99 cm-1 View
  • 37 1240.84 cm-1 View
  • 38 1262.47 cm-1 View
  • 39 1282.20 cm-1 View
  • 40 1312.00 cm-1 View
  • 41 1327.08 cm-1 View
  • 42 1374.68 cm-1 View
  • 43 1434.81 cm-1 View
  • 44 1819.28 cm-1 View
  • 45 1837.72 cm-1 View
  • 46 1860.45 cm-1 View
  • 47 1865.83 cm-1 View
  • 48 1884.41 cm-1 View
  • 49 3022.46 cm-1 View
  • 50 3025.19 cm-1 View
  • 51 3026.60 cm-1 View
  • 52 3030.77 cm-1 View
  • 53 3033.81 cm-1 View
  • 54 3037.30 cm-1 View
  • 55 3039.21 cm-1 View
  • 56 3044.88 cm-1 View
  • 57 3137.61 cm-1 View
  • 58 3140.23 cm-1 View
  • 59 3146.18 cm-1 View
  • 60 3147.23 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy8.67kJ mol-1
Polar Solvation Energy-7.29kJ mol-1
Nonpolar Solvation Energy15.97kJ mol-1
Surface Area157.22Å2
Charge of Molecule0
Dipole0.07Debye