Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational453.29kJ mol-1
Total (Trans. + Rot. + Vib.)463.21kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational203.10J mol-1 K-1
Total (Trans. + Rot. + Vib.)236.35J mol-1 K-1
Entropy
PropertyValueUnit
Translational174.76J mol-1 K-1
Rotational133.14J mol-1 K-1
Vibrational244.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)552.50J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-630.35kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 22.63 cm-1 View
  • 2 29.06 cm-1 View
  • 3 41.96 cm-1 View
  • 4 50.40 cm-1 View
  • 5 81.13 cm-1 View
  • 6 82.43 cm-1 View
  • 7 88.36 cm-1 View
  • 8 125.45 cm-1 View
  • 9 137.43 cm-1 View
  • 10 186.93 cm-1 View
  • 11 201.29 cm-1 View
  • 12 220.82 cm-1 View
  • 13 254.15 cm-1 View
  • 14 270.22 cm-1 View
  • 15 305.69 cm-1 View
  • 16 333.63 cm-1 View
  • 17 434.00 cm-1 View
  • 18 534.48 cm-1 View
  • 19 556.35 cm-1 View
  • 20 563.08 cm-1 View
  • 21 665.65 cm-1 View
  • 22 669.11 cm-1 View
  • 23 701.05 cm-1 View
  • 24 712.80 cm-1 View
  • 25 719.87 cm-1 View
  • 26 750.70 cm-1 View
  • 27 775.43 cm-1 View
  • 28 795.12 cm-1 View
  • 29 810.13 cm-1 View
  • 30 830.97 cm-1 View
  • 31 851.80 cm-1 View
  • 32 859.83 cm-1 View
  • 33 864.08 cm-1 View
  • 34 871.27 cm-1 View
  • 35 884.25 cm-1 View
  • 36 918.82 cm-1 View
  • 37 974.20 cm-1 View
  • 38 1004.18 cm-1 View
  • 39 1063.72 cm-1 View
  • 40 1083.62 cm-1 View
  • 41 1092.09 cm-1 View
  • 42 1177.19 cm-1 View
  • 43 1180.35 cm-1 View
  • 44 1199.67 cm-1 View
  • 45 1215.33 cm-1 View
  • 46 1323.76 cm-1 View
  • 47 1333.11 cm-1 View
  • 48 1345.41 cm-1 View
  • 49 1650.87 cm-1 View
  • 50 1654.91 cm-1 View
  • 51 1947.79 cm-1 View
  • 52 1949.25 cm-1 View
  • 53 1960.68 cm-1 View
  • 54 1965.20 cm-1 View
  • 55 1967.93 cm-1 View
  • 56 1976.18 cm-1 View
  • 57 3339.07 cm-1 View
  • 58 3349.05 cm-1 View
  • 59 3357.87 cm-1 View
  • 60 3369.98 cm-1 View
  • 61 3408.32 cm-1 View
  • 62 3490.23 cm-1 View
  • 63 3515.12 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy39.21kJ mol-1
Polar Solvation Energy-25.70kJ mol-1
Nonpolar Solvation Energy64.92kJ mol-1
Surface Area176.70Å2
Charge of Molecule0
Dipole2.20Debye