Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational206.39kJ mol-1
Total (Trans. + Rot. + Vib.)216.31kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational132.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)165.28J mol-1 K-1
Entropy
PropertyValueUnit
Translational173.58J mol-1 K-1
Rotational126.91J mol-1 K-1
Vibrational150.25J mol-1 K-1
Total (Trans. + Rot. + Vib.)450.74J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-187.37kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 34.57 cm-1 View
  • 2 66.62 cm-1 View
  • 3 88.03 cm-1 View
  • 4 98.09 cm-1 View
  • 5 149.37 cm-1 View
  • 6 156.67 cm-1 View
  • 7 183.89 cm-1 View
  • 8 227.11 cm-1 View
  • 9 276.51 cm-1 View
  • 10 322.89 cm-1 View
  • 11 343.68 cm-1 View
  • 12 349.47 cm-1 View
  • 13 388.03 cm-1 View
  • 14 452.08 cm-1 View
  • 15 469.44 cm-1 View
  • 16 579.84 cm-1 View
  • 17 704.77 cm-1 View
  • 18 780.63 cm-1 View
  • 19 870.86 cm-1 View
  • 20 927.01 cm-1 View
  • 21 998.95 cm-1 View
  • 22 1074.10 cm-1 View
  • 23 1145.33 cm-1 View
  • 24 1152.88 cm-1 View
  • 25 1163.06 cm-1 View
  • 26 1265.06 cm-1 View
  • 27 1333.06 cm-1 View
  • 28 1363.66 cm-1 View
  • 29 1449.69 cm-1 View
  • 30 1519.23 cm-1 View
  • 31 3400.19 cm-1 View
  • 32 3426.33 cm-1 View
  • 33 3973.24 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy22.19kJ mol-1
Polar Solvation Energy-23.96kJ mol-1
Nonpolar Solvation Energy46.15kJ mol-1
Surface Area135.90Å2
Charge of Molecule0
Dipole3.13Debye