Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.23kJ mol-1
Total (Trans. + Rot. + Vib.)234.15kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational99.76J mol-1 K-1
Vibrational29.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.85J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation132.68kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 103.60 cm-1 View
  • 2 302.76 cm-1 View
  • 3 479.89 cm-1 View
  • 4 598.45 cm-1 View
  • 5 704.39 cm-1 View
  • 6 911.14 cm-1 View
  • 7 916.07 cm-1 View
  • 8 944.44 cm-1 View
  • 9 1015.95 cm-1 View
  • 10 1032.16 cm-1 View
  • 11 1039.19 cm-1 View
  • 12 1103.96 cm-1 View
  • 13 1174.32 cm-1 View
  • 14 1276.28 cm-1 View
  • 15 1313.64 cm-1 View
  • 16 1373.52 cm-1 View
  • 17 1834.57 cm-1 View
  • 18 1864.77 cm-1 View
  • 19 3030.86 cm-1 View
  • 20 3041.27 cm-1 View
  • 21 3130.48 cm-1 View
  • 22 3134.86 cm-1 View
  • 23 3146.23 cm-1 View
  • 24 3147.32 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.97kJ mol-1
Polar Solvation Energy-2.54kJ mol-1
Nonpolar Solvation Energy16.51kJ mol-1
Surface Area71.56Å2
Charge of Molecule0
Dipole0.03Debye