Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational135.38kJ mol-1
Total (Trans. + Rot. + Vib.)145.30kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational29.48J mol-1 K-1
Total (Trans. + Rot. + Vib.)62.74J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.27J mol-1 K-1
Rotational96.95J mol-1 K-1
Vibrational16.50J mol-1 K-1
Total (Trans. + Rot. + Vib.)271.71J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation209.68kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 261.08 cm-1 View
  • 2 371.33 cm-1 View
  • 3 606.36 cm-1 View
  • 4 696.71 cm-1 View
  • 5 919.90 cm-1 View
  • 6 924.68 cm-1 View
  • 7 1041.37 cm-1 View
  • 8 1083.88 cm-1 View
  • 9 1223.51 cm-1 View
  • 10 1330.03 cm-1 View
  • 11 1839.37 cm-1 View
  • 12 2466.07 cm-1 View
  • 13 3033.86 cm-1 View
  • 14 3139.65 cm-1 View
  • 15 3141.54 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.15kJ mol-1
Polar Solvation Energy-15.67kJ mol-1
Nonpolar Solvation Energy7.52kJ mol-1
Surface Area84.04Å2
Charge of Molecule0
Dipole4.22Debye