Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational135.37kJ mol-1
Total (Trans. + Rot. + Vib.)145.29kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational29.50J mol-1 K-1
Total (Trans. + Rot. + Vib.)62.76J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.27J mol-1 K-1
Rotational96.95J mol-1 K-1
Vibrational16.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)271.75J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation209.68kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 260.88 cm-1 View
  • 2 369.99 cm-1 View
  • 3 606.24 cm-1 View
  • 4 696.25 cm-1 View
  • 5 919.73 cm-1 View
  • 6 924.64 cm-1 View
  • 7 1041.32 cm-1 View
  • 8 1083.85 cm-1 View
  • 9 1223.50 cm-1 View
  • 10 1330.02 cm-1 View
  • 11 1839.36 cm-1 View
  • 12 2466.02 cm-1 View
  • 13 3033.83 cm-1 View
  • 14 3139.64 cm-1 View
  • 15 3141.55 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-5.49kJ mol-1
Polar Solvation Energy-15.63kJ mol-1
Nonpolar Solvation Energy10.12kJ mol-1
Surface Area82.02Å2
Charge of Molecule0
Dipole4.21Debye