Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational287.98kJ mol-1
Total (Trans. + Rot. + Vib.)297.89kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational55.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)89.25J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.25J mol-1 K-1
Rotational108.00J mol-1 K-1
Vibrational27.81J mol-1 K-1
Total (Trans. + Rot. + Vib.)299.06J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation888.18kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 233.25 cm-1 View
  • 2 318.84 cm-1 View
  • 3 444.34 cm-1 View
  • 4 580.77 cm-1 View
  • 5 593.26 cm-1 View
  • 6 681.99 cm-1 View
  • 7 809.35 cm-1 View
  • 8 833.33 cm-1 View
  • 9 927.23 cm-1 View
  • 10 940.02 cm-1 View
  • 11 993.53 cm-1 View
  • 12 997.71 cm-1 View
  • 13 1015.24 cm-1 View
  • 14 1033.89 cm-1 View
  • 15 1075.12 cm-1 View
  • 16 1113.56 cm-1 View
  • 17 1123.92 cm-1 View
  • 18 1152.95 cm-1 View
  • 19 1153.44 cm-1 View
  • 20 1212.86 cm-1 View
  • 21 1257.57 cm-1 View
  • 22 1441.85 cm-1 View
  • 23 1449.24 cm-1 View
  • 24 1573.42 cm-1 View
  • 25 1653.10 cm-1 View
  • 26 1746.82 cm-1 View
  • 27 2815.61 cm-1 View
  • 28 2935.58 cm-1 View
  • 29 3004.65 cm-1 View
  • 30 3008.41 cm-1 View
  • 31 3013.21 cm-1 View
  • 32 3023.69 cm-1 View
  • 33 3032.43 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-192.68kJ mol-1
Polar Solvation Energy-202.63kJ mol-1
Nonpolar Solvation Energy9.95kJ mol-1
Surface Area94.58Å2
Charge of Molecule1
Dipole1.65Debye