Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational289.74kJ mol-1
Total (Trans. + Rot. + Vib.)299.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational57.39J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.65J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.25J mol-1 K-1
Rotational108.00J mol-1 K-1
Vibrational30.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)301.60J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation72.92kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 159.24 cm-1 View
  • 2 365.31 cm-1 View
  • 3 512.68 cm-1 View
  • 4 564.89 cm-1 View
  • 5 608.08 cm-1 View
  • 6 631.45 cm-1 View
  • 7 689.10 cm-1 View
  • 8 714.74 cm-1 View
  • 9 920.84 cm-1 View
  • 10 929.80 cm-1 View
  • 11 942.54 cm-1 View
  • 12 977.59 cm-1 View
  • 13 1014.95 cm-1 View
  • 14 1043.34 cm-1 View
  • 15 1081.40 cm-1 View
  • 16 1129.81 cm-1 View
  • 17 1134.10 cm-1 View
  • 18 1162.82 cm-1 View
  • 19 1163.01 cm-1 View
  • 20 1239.95 cm-1 View
  • 21 1398.34 cm-1 View
  • 22 1421.46 cm-1 View
  • 23 1460.17 cm-1 View
  • 24 1609.47 cm-1 View
  • 25 1707.54 cm-1 View
  • 26 1828.10 cm-1 View
  • 27 2792.18 cm-1 View
  • 28 2914.63 cm-1 View
  • 29 3021.51 cm-1 View
  • 30 3022.40 cm-1 View
  • 31 3079.45 cm-1 View
  • 32 3082.42 cm-1 View
  • 33 3112.15 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-240.59kJ mol-1
Polar Solvation Energy-249.48kJ mol-1
Nonpolar Solvation Energy8.86kJ mol-1
Surface Area98.32Å2
Charge of Molecule-1
Dipole0.20Debye