Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational159.34kJ mol-1
Total (Trans. + Rot. + Vib.)169.26kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational80.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)113.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.73J mol-1 K-1
Rotational118.82J mol-1 K-1
Vibrational67.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)356.36J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation302.92kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 89.55 cm-1 View
  • 2 127.29 cm-1 View
  • 3 208.84 cm-1 View
  • 4 288.45 cm-1 View
  • 5 332.34 cm-1 View
  • 6 357.82 cm-1 View
  • 7 402.79 cm-1 View
  • 8 548.39 cm-1 View
  • 9 584.66 cm-1 View
  • 10 600.69 cm-1 View
  • 11 640.33 cm-1 View
  • 12 717.13 cm-1 View
  • 13 844.75 cm-1 View
  • 14 957.04 cm-1 View
  • 15 1018.60 cm-1 View
  • 16 1079.94 cm-1 View
  • 17 1219.07 cm-1 View
  • 18 1333.36 cm-1 View
  • 19 1518.27 cm-1 View
  • 20 1532.88 cm-1 View
  • 21 1651.34 cm-1 View
  • 22 1676.33 cm-1 View
  • 23 3429.60 cm-1 View
  • 24 3533.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-25.08kJ mol-1
Polar Solvation Energy-42.41kJ mol-1
Nonpolar Solvation Energy17.35kJ mol-1
Surface Area126.12Å2
Charge of Molecule0
Dipole6.56Debye