Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational282.95kJ mol-1
Total (Trans. + Rot. + Vib.)292.87kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational79.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)113.03J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.35J mol-1 K-1
Rotational117.69J mol-1 K-1
Vibrational45.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.37J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation357.22kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 205.20 cm-1 View
  • 2 229.91 cm-1 View
  • 3 345.43 cm-1 View
  • 4 397.78 cm-1 View
  • 5 429.53 cm-1 View
  • 6 500.42 cm-1 View
  • 7 552.19 cm-1 View
  • 8 585.79 cm-1 View
  • 9 612.00 cm-1 View
  • 10 742.76 cm-1 View
  • 11 777.91 cm-1 View
  • 12 810.67 cm-1 View
  • 13 869.50 cm-1 View
  • 14 884.71 cm-1 View
  • 15 962.51 cm-1 View
  • 16 965.86 cm-1 View
  • 17 984.09 cm-1 View
  • 18 1007.75 cm-1 View
  • 19 1084.12 cm-1 View
  • 20 1113.15 cm-1 View
  • 21 1151.87 cm-1 View
  • 22 1190.60 cm-1 View
  • 23 1253.98 cm-1 View
  • 24 1288.63 cm-1 View
  • 25 1346.50 cm-1 View
  • 26 1402.27 cm-1 View
  • 27 1491.17 cm-1 View
  • 28 1626.54 cm-1 View
  • 29 1679.88 cm-1 View
  • 30 1791.72 cm-1 View
  • 31 1805.15 cm-1 View
  • 32 3050.86 cm-1 View
  • 33 3061.49 cm-1 View
  • 34 3078.74 cm-1 View
  • 35 3083.44 cm-1 View
  • 36 3432.92 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-14.07kJ mol-1
Polar Solvation Energy-25.31kJ mol-1
Nonpolar Solvation Energy11.24kJ mol-1
Surface Area105.25Å2
Charge of Molecule0
Dipole4.96Debye