Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational267.00kJ mol-1
Total (Trans. + Rot. + Vib.)276.91kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational96.01J mol-1 K-1
Total (Trans. + Rot. + Vib.)129.26J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.02J mol-1 K-1
Rotational121.38J mol-1 K-1
Vibrational64.11J mol-1 K-1
Total (Trans. + Rot. + Vib.)355.52J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation423.65kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 156.26 cm-1 View
  • 2 203.74 cm-1 View
  • 3 276.50 cm-1 View
  • 4 278.08 cm-1 View
  • 5 288.61 cm-1 View
  • 6 339.27 cm-1 View
  • 7 502.18 cm-1 View
  • 8 506.96 cm-1 View
  • 9 516.66 cm-1 View
  • 10 546.33 cm-1 View
  • 11 596.72 cm-1 View
  • 12 637.51 cm-1 View
  • 13 732.83 cm-1 View
  • 14 787.61 cm-1 View
  • 15 841.06 cm-1 View
  • 16 893.59 cm-1 View
  • 17 916.87 cm-1 View
  • 18 935.61 cm-1 View
  • 19 977.12 cm-1 View
  • 20 1013.51 cm-1 View
  • 21 1073.65 cm-1 View
  • 22 1169.21 cm-1 View
  • 23 1188.46 cm-1 View
  • 24 1271.18 cm-1 View
  • 25 1343.35 cm-1 View
  • 26 1401.90 cm-1 View
  • 27 1442.11 cm-1 View
  • 28 1585.87 cm-1 View
  • 29 1661.18 cm-1 View
  • 30 1666.07 cm-1 View
  • 31 1715.77 cm-1 View
  • 32 1773.28 cm-1 View
  • 33 2983.43 cm-1 View
  • 34 3422.36 cm-1 View
  • 35 3428.40 cm-1 View
  • 36 3532.53 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-28.88kJ mol-1
Polar Solvation Energy-47.89kJ mol-1
Nonpolar Solvation Energy19.02kJ mol-1
Surface Area112.73Å2
Charge of Molecule0
Dipole7.48Debye