Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational278.90kJ mol-1
Total (Trans. + Rot. + Vib.)288.82kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational78.77J mol-1 K-1
Total (Trans. + Rot. + Vib.)112.03J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.94J mol-1 K-1
Rotational113.13J mol-1 K-1
Vibrational67.29J mol-1 K-1
Total (Trans. + Rot. + Vib.)346.35J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation166.96kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 62.90 cm-1 View
  • 2 154.92 cm-1 View
  • 3 197.97 cm-1 View
  • 4 277.85 cm-1 View
  • 5 305.35 cm-1 View
  • 6 395.63 cm-1 View
  • 7 437.01 cm-1 View
  • 8 591.69 cm-1 View
  • 9 626.64 cm-1 View
  • 10 647.73 cm-1 View
  • 11 732.92 cm-1 View
  • 12 977.98 cm-1 View
  • 13 998.09 cm-1 View
  • 14 1011.32 cm-1 View
  • 15 1055.35 cm-1 View
  • 16 1059.94 cm-1 View
  • 17 1084.14 cm-1 View
  • 18 1143.25 cm-1 View
  • 19 1256.55 cm-1 View
  • 20 1361.03 cm-1 View
  • 21 1381.60 cm-1 View
  • 22 1386.42 cm-1 View
  • 23 1392.20 cm-1 View
  • 24 1521.80 cm-1 View
  • 25 1609.67 cm-1 View
  • 26 1674.35 cm-1 View
  • 27 1705.55 cm-1 View
  • 28 3069.34 cm-1 View
  • 29 3079.71 cm-1 View
  • 30 3166.50 cm-1 View
  • 31 3407.46 cm-1 View
  • 32 3447.21 cm-1 View
  • 33 3529.79 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-18.23kJ mol-1
Polar Solvation Energy-34.51kJ mol-1
Nonpolar Solvation Energy16.26kJ mol-1
Surface Area101.97Å2
Charge of Molecule0
Dipole3.33Debye