Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational294.50kJ mol-1
Total (Trans. + Rot. + Vib.)304.41kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational115.90J mol-1 K-1
Total (Trans. + Rot. + Vib.)149.16J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.20J mol-1 K-1
Rotational118.10J mol-1 K-1
Vibrational99.94J mol-1 K-1
Total (Trans. + Rot. + Vib.)388.24J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-1164.27kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 95.40 cm-1 View
  • 2 111.01 cm-1 View
  • 3 171.03 cm-1 View
  • 4 183.21 cm-1 View
  • 5 195.65 cm-1 View
  • 6 277.57 cm-1 View
  • 7 332.99 cm-1 View
  • 8 356.71 cm-1 View
  • 9 358.00 cm-1 View
  • 10 366.08 cm-1 View
  • 11 369.09 cm-1 View
  • 12 445.80 cm-1 View
  • 13 613.79 cm-1 View
  • 14 614.71 cm-1 View
  • 15 815.82 cm-1 View
  • 16 892.66 cm-1 View
  • 17 893.62 cm-1 View
  • 18 964.96 cm-1 View
  • 19 995.21 cm-1 View
  • 20 1018.89 cm-1 View
  • 21 1022.01 cm-1 View
  • 22 1076.57 cm-1 View
  • 23 1096.62 cm-1 View
  • 24 1099.34 cm-1 View
  • 25 1182.28 cm-1 View
  • 26 1219.53 cm-1 View
  • 27 1221.65 cm-1 View
  • 28 1311.16 cm-1 View
  • 29 1311.87 cm-1 View
  • 30 1348.62 cm-1 View
  • 31 1365.99 cm-1 View
  • 32 1453.18 cm-1 View
  • 33 1454.08 cm-1 View
  • 34 2840.79 cm-1 View
  • 35 2841.95 cm-1 View
  • 36 2846.28 cm-1 View
  • 37 3867.51 cm-1 View
  • 38 3870.35 cm-1 View
  • 39 3871.11 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-14.68kJ mol-1
Polar Solvation Energy-22.93kJ mol-1
Nonpolar Solvation Energy8.23kJ mol-1
Surface Area101.53Å2
Charge of Molecule0
Dipole0.37Debye