Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational205.68kJ mol-1
Total (Trans. + Rot. + Vib.)215.59kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational16.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)49.92J mol-1 K-1
Entropy
PropertyValueUnit
Translational151.99J mol-1 K-1
Rotational82.65J mol-1 K-1
Vibrational9.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)244.39J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation640.97kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 236.76 cm-1 View
  • 2 933.47 cm-1 View
  • 3 933.71 cm-1 View
  • 4 1047.15 cm-1 View
  • 5 1161.04 cm-1 View
  • 6 1161.16 cm-1 View
  • 7 1328.54 cm-1 View
  • 8 1358.41 cm-1 View
  • 9 1359.14 cm-1 View
  • 10 1614.88 cm-1 View
  • 11 1728.58 cm-1 View
  • 12 1728.83 cm-1 View
  • 13 3012.23 cm-1 View
  • 14 3012.70 cm-1 View
  • 15 3107.38 cm-1 View
  • 16 3397.48 cm-1 View
  • 17 3397.90 cm-1 View
  • 18 3557.89 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-268.08kJ mol-1
Polar Solvation Energy-276.26kJ mol-1
Nonpolar Solvation Energy8.15kJ mol-1
Surface Area56.40Å2
Charge of Molecule1
Dipole2.71Debye