Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational418.91kJ mol-1
Total (Trans. + Rot. + Vib.)428.83kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational85.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)118.61J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.44J mol-1 K-1
Rotational107.34J mol-1 K-1
Vibrational61.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.43J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation624.61kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 148.56 cm-1 View
  • 2 208.47 cm-1 View
  • 3 208.73 cm-1 View
  • 4 210.05 cm-1 View
  • 5 356.79 cm-1 View
  • 6 357.04 cm-1 View
  • 7 469.41 cm-1 View
  • 8 469.54 cm-1 View
  • 9 469.73 cm-1 View
  • 10 855.78 cm-1 View
  • 11 923.32 cm-1 View
  • 12 923.34 cm-1 View
  • 13 923.49 cm-1 View
  • 14 969.59 cm-1 View
  • 15 969.62 cm-1 View
  • 16 969.70 cm-1 View
  • 17 1021.56 cm-1 View
  • 18 1021.62 cm-1 View
  • 19 1238.06 cm-1 View
  • 20 1238.08 cm-1 View
  • 21 1238.17 cm-1 View
  • 22 1336.24 cm-1 View
  • 23 1339.80 cm-1 View
  • 24 1339.83 cm-1 View
  • 25 1339.85 cm-1 View
  • 26 1353.49 cm-1 View
  • 27 1353.54 cm-1 View
  • 28 1353.56 cm-1 View
  • 29 1361.76 cm-1 View
  • 30 1361.79 cm-1 View
  • 31 1373.13 cm-1 View
  • 32 1373.14 cm-1 View
  • 33 1373.18 cm-1 View
  • 34 3029.35 cm-1 View
  • 35 3029.46 cm-1 View
  • 36 3029.59 cm-1 View
  • 37 3032.30 cm-1 View
  • 38 3032.39 cm-1 View
  • 39 3032.50 cm-1 View
  • 40 3033.29 cm-1 View
  • 41 3033.45 cm-1 View
  • 42 3112.22 cm-1 View
  • 43 3112.29 cm-1 View
  • 44 3112.49 cm-1 View
  • 45 3113.77 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-186.33kJ mol-1
Polar Solvation Energy-199.91kJ mol-1
Nonpolar Solvation Energy13.59kJ mol-1
Surface Area91.16Å2
Charge of Molecule1
Dipole0.02Debye