Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational390.47kJ mol-1
Total (Trans. + Rot. + Vib.)400.38kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational104.83J mol-1 K-1
Total (Trans. + Rot. + Vib.)138.09J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.15J mol-1 K-1
Rotational117.37J mol-1 K-1
Vibrational83.37J mol-1 K-1
Total (Trans. + Rot. + Vib.)367.89J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-131.44kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 95.99 cm-1 View
  • 2 144.01 cm-1 View
  • 3 191.13 cm-1 View
  • 4 221.03 cm-1 View
  • 5 269.60 cm-1 View
  • 6 283.83 cm-1 View
  • 7 371.43 cm-1 View
  • 8 408.75 cm-1 View
  • 9 419.31 cm-1 View
  • 10 491.92 cm-1 View
  • 11 507.33 cm-1 View
  • 12 551.17 cm-1 View
  • 13 617.99 cm-1 View
  • 14 856.13 cm-1 View
  • 15 889.35 cm-1 View
  • 16 933.77 cm-1 View
  • 17 962.42 cm-1 View
  • 18 983.22 cm-1 View
  • 19 1025.89 cm-1 View
  • 20 1050.03 cm-1 View
  • 21 1079.75 cm-1 View
  • 22 1164.53 cm-1 View
  • 23 1233.78 cm-1 View
  • 24 1289.88 cm-1 View
  • 25 1301.46 cm-1 View
  • 26 1337.37 cm-1 View
  • 27 1352.40 cm-1 View
  • 28 1356.02 cm-1 View
  • 29 1359.69 cm-1 View
  • 30 1373.94 cm-1 View
  • 31 1395.18 cm-1 View
  • 32 1403.43 cm-1 View
  • 33 1409.00 cm-1 View
  • 34 1482.20 cm-1 View
  • 35 2025.65 cm-1 View
  • 36 2953.02 cm-1 View
  • 37 3022.54 cm-1 View
  • 38 3040.47 cm-1 View
  • 39 3072.23 cm-1 View
  • 40 3074.06 cm-1 View
  • 41 3113.23 cm-1 View
  • 42 3158.62 cm-1 View
  • 43 3160.71 cm-1 View
  • 44 3179.87 cm-1 View
  • 45 3214.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-239.87kJ mol-1
Polar Solvation Energy-269.38kJ mol-1
Nonpolar Solvation Energy29.51kJ mol-1
Surface Area121.58Å2
Charge of Molecule-1
Dipole4.11Debye