Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational230.59kJ mol-1
Total (Trans. + Rot. + Vib.)240.50kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational90.05J mol-1 K-1
Total (Trans. + Rot. + Vib.)123.31J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.03J mol-1 K-1
Rotational118.57J mol-1 K-1
Vibrational98.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)385.28J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-676.94kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 21.71 cm-1 View
  • 2 46.37 cm-1 View
  • 3 114.42 cm-1 View
  • 4 205.82 cm-1 View
  • 5 324.47 cm-1 View
  • 6 411.75 cm-1 View
  • 7 419.62 cm-1 View
  • 8 480.99 cm-1 View
  • 9 507.07 cm-1 View
  • 10 525.79 cm-1 View
  • 11 542.08 cm-1 View
  • 12 678.33 cm-1 View
  • 13 756.32 cm-1 View
  • 14 824.47 cm-1 View
  • 15 922.10 cm-1 View
  • 16 1000.00 cm-1 View
  • 17 1006.01 cm-1 View
  • 18 1149.45 cm-1 View
  • 19 1237.39 cm-1 View
  • 20 1246.81 cm-1 View
  • 21 1257.36 cm-1 View
  • 22 1435.22 cm-1 View
  • 23 1474.83 cm-1 View
  • 24 1885.28 cm-1 View
  • 25 1979.00 cm-1 View
  • 26 1993.54 cm-1 View
  • 27 3023.98 cm-1 View
  • 28 3043.32 cm-1 View
  • 29 3851.46 cm-1 View
  • 30 3851.81 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-22.33kJ mol-1
Polar Solvation Energy-35.43kJ mol-1
Nonpolar Solvation Energy13.13kJ mol-1
Surface Area114.78Å2
Charge of Molecule0
Dipole3.08Debye