Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational242.18kJ mol-1
Total (Trans. + Rot. + Vib.)252.10kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational66.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)99.47J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.67J mol-1 K-1
Rotational115.83J mol-1 K-1
Vibrational46.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)328.91J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation203.36kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 114.30 cm-1 View
  • 2 168.30 cm-1 View
  • 3 345.89 cm-1 View
  • 4 399.99 cm-1 View
  • 5 402.53 cm-1 View
  • 6 632.08 cm-1 View
  • 7 645.00 cm-1 View
  • 8 658.86 cm-1 View
  • 9 739.79 cm-1 View
  • 10 839.84 cm-1 View
  • 11 900.22 cm-1 View
  • 12 966.10 cm-1 View
  • 13 989.47 cm-1 View
  • 14 1003.80 cm-1 View
  • 15 1078.78 cm-1 View
  • 16 1116.41 cm-1 View
  • 17 1153.38 cm-1 View
  • 18 1181.46 cm-1 View
  • 19 1239.42 cm-1 View
  • 20 1314.32 cm-1 View
  • 21 1348.78 cm-1 View
  • 22 1508.97 cm-1 View
  • 23 1568.39 cm-1 View
  • 24 1775.46 cm-1 View
  • 25 1782.56 cm-1 View
  • 26 2967.32 cm-1 View
  • 27 3042.90 cm-1 View
  • 28 3059.54 cm-1 View
  • 29 3068.10 cm-1 View
  • 30 3080.60 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.00kJ mol-1
Polar Solvation Energy-24.57kJ mol-1
Nonpolar Solvation Energy26.54kJ mol-1
Surface Area126.37Å2
Charge of Molecule0
Dipole4.88Debye