Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational285.59kJ mol-1
Total (Trans. + Rot. + Vib.)295.51kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational206.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)240.00J mol-1 K-1
Entropy
PropertyValueUnit
Translational176.67J mol-1 K-1
Rotational134.51J mol-1 K-1
Vibrational208.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)519.62J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation597.77kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 59.56 cm-1 View
  • 2 65.23 cm-1 View
  • 3 94.74 cm-1 View
  • 4 98.54 cm-1 View
  • 5 109.66 cm-1 View
  • 6 135.06 cm-1 View
  • 7 147.98 cm-1 View
  • 8 162.29 cm-1 View
  • 9 191.78 cm-1 View
  • 10 212.25 cm-1 View
  • 11 221.37 cm-1 View
  • 12 255.87 cm-1 View
  • 13 286.76 cm-1 View
  • 14 334.02 cm-1 View
  • 15 348.09 cm-1 View
  • 16 376.81 cm-1 View
  • 17 389.39 cm-1 View
  • 18 400.87 cm-1 View
  • 19 417.68 cm-1 View
  • 20 431.96 cm-1 View
  • 21 478.40 cm-1 View
  • 22 499.05 cm-1 View
  • 23 507.28 cm-1 View
  • 24 527.43 cm-1 View
  • 25 549.12 cm-1 View
  • 26 577.54 cm-1 View
  • 27 586.97 cm-1 View
  • 28 595.34 cm-1 View
  • 29 636.98 cm-1 View
  • 30 794.22 cm-1 View
  • 31 819.42 cm-1 View
  • 32 842.46 cm-1 View
  • 33 895.19 cm-1 View
  • 34 959.99 cm-1 View
  • 35 1024.68 cm-1 View
  • 36 1044.72 cm-1 View
  • 37 1203.15 cm-1 View
  • 38 1249.80 cm-1 View
  • 39 1277.79 cm-1 View
  • 40 1323.09 cm-1 View
  • 41 1855.15 cm-1 View
  • 42 1857.63 cm-1 View
  • 43 1870.63 cm-1 View
  • 44 1871.06 cm-1 View
  • 45 3339.09 cm-1 View
  • 46 3383.58 cm-1 View
  • 47 3413.18 cm-1 View
  • 48 3426.79 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy40.36kJ mol-1
Polar Solvation Energy-35.38kJ mol-1
Nonpolar Solvation Energy75.70kJ mol-1
Surface Area189.74Å2
Charge of Molecule0
Dipole2.92Debye