Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational286.60kJ mol-1
Total (Trans. + Rot. + Vib.)296.51kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational70.26J mol-1 K-1
Total (Trans. + Rot. + Vib.)103.52J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.45J mol-1 K-1
Rotational112.44J mol-1 K-1
Vibrational72.25J mol-1 K-1
Total (Trans. + Rot. + Vib.)349.14J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-546.35kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 39.27 cm-1 View
  • 2 79.71 cm-1 View
  • 3 192.41 cm-1 View
  • 4 209.24 cm-1 View
  • 5 354.86 cm-1 View
  • 6 434.29 cm-1 View
  • 7 578.84 cm-1 View
  • 8 711.09 cm-1 View
  • 9 788.68 cm-1 View
  • 10 906.67 cm-1 View
  • 11 908.19 cm-1 View
  • 12 978.43 cm-1 View
  • 13 1029.95 cm-1 View
  • 14 1117.03 cm-1 View
  • 15 1123.93 cm-1 View
  • 16 1137.80 cm-1 View
  • 17 1138.89 cm-1 View
  • 18 1228.51 cm-1 View
  • 19 1346.39 cm-1 View
  • 20 1386.51 cm-1 View
  • 21 1413.25 cm-1 View
  • 22 1415.44 cm-1 View
  • 23 1419.56 cm-1 View
  • 24 1422.20 cm-1 View
  • 25 1549.79 cm-1 View
  • 26 1885.02 cm-1 View
  • 27 2953.57 cm-1 View
  • 28 2970.15 cm-1 View
  • 29 3036.53 cm-1 View
  • 30 3042.53 cm-1 View
  • 31 3073.02 cm-1 View
  • 32 3076.09 cm-1 View
  • 33 3177.57 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-289.17kJ mol-1
Polar Solvation Energy-306.21kJ mol-1
Nonpolar Solvation Energy17.01kJ mol-1
Surface Area97.49Å2
Charge of Molecule-1
Dipole9.42Debye