Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational179.97kJ mol-1
Total (Trans. + Rot. + Vib.)189.88kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational35.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)68.47J mol-1 K-1
Entropy
PropertyValueUnit
Translational156.77J mol-1 K-1
Rotational93.57J mol-1 K-1
Vibrational20.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)270.91J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation52.42kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 253.76 cm-1 View
  • 2 338.99 cm-1 View
  • 3 397.31 cm-1 View
  • 4 695.61 cm-1 View
  • 5 847.44 cm-1 View
  • 6 883.22 cm-1 View
  • 7 926.57 cm-1 View
  • 8 953.31 cm-1 View
  • 9 1097.41 cm-1 View
  • 10 1178.27 cm-1 View
  • 11 1277.73 cm-1 View
  • 12 1553.05 cm-1 View
  • 13 1764.33 cm-1 View
  • 14 3147.80 cm-1 View
  • 15 3155.30 cm-1 View
  • 16 3442.88 cm-1 View
  • 17 3536.16 cm-1 View
  • 18 3954.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-27.27kJ mol-1
Polar Solvation Energy-37.11kJ mol-1
Nonpolar Solvation Energy9.82kJ mol-1
Surface Area68.84Å2
Charge of Molecule0
Dipole3.61Debye