Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational134.80kJ mol-1
Total (Trans. + Rot. + Vib.)144.72kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational51.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)84.84J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.86J mol-1 K-1
Rotational106.75J mol-1 K-1
Vibrational44.22J mol-1 K-1
Total (Trans. + Rot. + Vib.)314.83J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation21.20kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 107.78 cm-1 View
  • 2 142.19 cm-1 View
  • 3 302.60 cm-1 View
  • 4 385.66 cm-1 View
  • 5 467.47 cm-1 View
  • 6 533.08 cm-1 View
  • 7 727.86 cm-1 View
  • 8 932.02 cm-1 View
  • 9 968.73 cm-1 View
  • 10 1069.71 cm-1 View
  • 11 1111.86 cm-1 View
  • 12 1173.20 cm-1 View
  • 13 1357.55 cm-1 View
  • 14 1361.73 cm-1 View
  • 15 1371.44 cm-1 View
  • 16 3059.02 cm-1 View
  • 17 3074.62 cm-1 View
  • 18 3137.54 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.40kJ mol-1
Polar Solvation Energy-12.01kJ mol-1
Nonpolar Solvation Energy22.40kJ mol-1
Surface Area82.07Å2
Charge of Molecule0
Dipole3.08Debye