Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational276.39kJ mol-1
Total (Trans. + Rot. + Vib.)286.31kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational90.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)123.47J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.16J mol-1 K-1
Rotational120.36J mol-1 K-1
Vibrational85.14J mol-1 K-1
Total (Trans. + Rot. + Vib.)374.67J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation78.56kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 47.30 cm-1 View
  • 2 49.69 cm-1 View
  • 3 125.41 cm-1 View
  • 4 284.61 cm-1 View
  • 5 326.13 cm-1 View
  • 6 433.57 cm-1 View
  • 7 485.59 cm-1 View
  • 8 552.72 cm-1 View
  • 9 574.68 cm-1 View
  • 10 630.30 cm-1 View
  • 11 670.83 cm-1 View
  • 12 769.98 cm-1 View
  • 13 792.51 cm-1 View
  • 14 866.06 cm-1 View
  • 15 902.02 cm-1 View
  • 16 916.07 cm-1 View
  • 17 935.92 cm-1 View
  • 18 984.50 cm-1 View
  • 19 1045.29 cm-1 View
  • 20 1076.10 cm-1 View
  • 21 1099.78 cm-1 View
  • 22 1204.25 cm-1 View
  • 23 1267.95 cm-1 View
  • 24 1302.13 cm-1 View
  • 25 1362.08 cm-1 View
  • 26 1478.33 cm-1 View
  • 27 1513.39 cm-1 View
  • 28 1578.55 cm-1 View
  • 29 1599.17 cm-1 View
  • 30 1692.18 cm-1 View
  • 31 1907.59 cm-1 View
  • 32 2908.83 cm-1 View
  • 33 2983.04 cm-1 View
  • 34 3110.69 cm-1 View
  • 35 3125.60 cm-1 View
  • 36 3452.19 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-35.33kJ mol-1
Polar Solvation Energy-50.69kJ mol-1
Nonpolar Solvation Energy15.38kJ mol-1
Surface Area117.81Å2
Charge of Molecule0
Dipole5.24Debye