Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational309.84kJ mol-1
Total (Trans. + Rot. + Vib.)319.75kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational62.14J mol-1 K-1
Total (Trans. + Rot. + Vib.)95.40J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.18J mol-1 K-1
Rotational102.33J mol-1 K-1
Vibrational58.77J mol-1 K-1
Total (Trans. + Rot. + Vib.)320.28J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation743.40kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 82.02 cm-1 View
  • 2 83.59 cm-1 View
  • 3 155.32 cm-1 View
  • 4 413.09 cm-1 View
  • 5 413.16 cm-1 View
  • 6 469.68 cm-1 View
  • 7 792.79 cm-1 View
  • 8 793.29 cm-1 View
  • 9 901.66 cm-1 View
  • 10 953.06 cm-1 View
  • 11 953.23 cm-1 View
  • 12 973.68 cm-1 View
  • 13 1060.62 cm-1 View
  • 14 1272.44 cm-1 View
  • 15 1272.64 cm-1 View
  • 16 1304.92 cm-1 View
  • 17 1317.06 cm-1 View
  • 18 1317.09 cm-1 View
  • 19 1321.13 cm-1 View
  • 20 1321.47 cm-1 View
  • 21 1321.78 cm-1 View
  • 22 1378.17 cm-1 View
  • 23 1507.00 cm-1 View
  • 24 1507.24 cm-1 View
  • 25 2969.34 cm-1 View
  • 26 2969.86 cm-1 View
  • 27 2972.42 cm-1 View
  • 28 3040.57 cm-1 View
  • 29 3040.68 cm-1 View
  • 30 3040.88 cm-1 View
  • 31 3113.22 cm-1 View
  • 32 3113.33 cm-1 View
  • 33 3122.74 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-203.59kJ mol-1
Polar Solvation Energy-217.30kJ mol-1
Nonpolar Solvation Energy13.71kJ mol-1
Surface Area81.42Å2
Charge of Molecule1
Dipole0.04Debye