Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational364.72kJ mol-1
Total (Trans. + Rot. + Vib.)374.63kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational55.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)88.37J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.68J mol-1 K-1
Rotational111.03J mol-1 K-1
Vibrational15.77J mol-1 K-1
Total (Trans. + Rot. + Vib.)293.48J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation475.60kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 592.07 cm-1 View
  • 2 592.10 cm-1 View
  • 3 795.50 cm-1 View
  • 4 795.53 cm-1 View
  • 5 795.54 cm-1 View
  • 6 901.34 cm-1 View
  • 7 901.45 cm-1 View
  • 8 901.50 cm-1 View
  • 9 929.35 cm-1 View
  • 10 929.40 cm-1 View
  • 11 929.44 cm-1 View
  • 12 952.56 cm-1 View
  • 13 952.62 cm-1 View
  • 14 952.70 cm-1 View
  • 15 986.21 cm-1 View
  • 16 986.24 cm-1 View
  • 17 1055.96 cm-1 View
  • 18 1056.03 cm-1 View
  • 19 1056.06 cm-1 View
  • 20 1068.37 cm-1 View
  • 21 1068.39 cm-1 View
  • 22 1127.48 cm-1 View
  • 23 1132.71 cm-1 View
  • 24 1132.74 cm-1 View
  • 25 1132.84 cm-1 View
  • 26 1199.03 cm-1 View
  • 27 1199.10 cm-1 View
  • 28 1239.94 cm-1 View
  • 29 1239.96 cm-1 View
  • 30 1240.02 cm-1 View
  • 31 1296.43 cm-1 View
  • 32 1296.99 cm-1 View
  • 33 1297.08 cm-1 View
  • 34 1297.12 cm-1 View
  • 35 3161.42 cm-1 View
  • 36 3161.45 cm-1 View
  • 37 3161.48 cm-1 View
  • 38 3163.36 cm-1 View
  • 39 3163.39 cm-1 View
  • 40 3163.42 cm-1 View
  • 41 3164.92 cm-1 View
  • 42 3174.69 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy0.90kJ mol-1
Polar Solvation Energy-4.03kJ mol-1
Nonpolar Solvation Energy4.93kJ mol-1
Surface Area102.52Å2
Charge of Molecule0
Dipole0.00Debye