Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational246.16kJ mol-1
Total (Trans. + Rot. + Vib.)256.08kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational81.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)115.22J mol-1 K-1
Entropy
PropertyValueUnit
Translational173.78J mol-1 K-1
Rotational123.53J mol-1 K-1
Vibrational53.62J mol-1 K-1
Total (Trans. + Rot. + Vib.)350.93J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation171.63kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 141.69 cm-1 View
  • 2 183.16 cm-1 View
  • 3 307.31 cm-1 View
  • 4 363.68 cm-1 View
  • 5 379.29 cm-1 View
  • 6 467.74 cm-1 View
  • 7 468.09 cm-1 View
  • 8 542.91 cm-1 View
  • 9 598.55 cm-1 View
  • 10 751.13 cm-1 View
  • 11 776.22 cm-1 View
  • 12 835.01 cm-1 View
  • 13 847.38 cm-1 View
  • 14 881.64 cm-1 View
  • 15 891.68 cm-1 View
  • 16 952.97 cm-1 View
  • 17 973.49 cm-1 View
  • 18 1013.01 cm-1 View
  • 19 1076.92 cm-1 View
  • 20 1121.40 cm-1 View
  • 21 1152.84 cm-1 View
  • 22 1199.50 cm-1 View
  • 23 1381.19 cm-1 View
  • 24 1384.05 cm-1 View
  • 25 1503.40 cm-1 View
  • 26 1648.09 cm-1 View
  • 27 1763.72 cm-1 View
  • 28 1781.98 cm-1 View
  • 29 1837.94 cm-1 View
  • 30 3047.11 cm-1 View
  • 31 3053.18 cm-1 View
  • 32 3066.70 cm-1 View
  • 33 3072.98 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.47kJ mol-1
Polar Solvation Energy-20.47kJ mol-1
Nonpolar Solvation Energy30.93kJ mol-1
Surface Area121.68Å2
Charge of Molecule0
Dipole4.72Debye