Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.42kJ mol-1
Total (Trans. + Rot. + Vib.)308.33kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational99.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)132.90J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.93J mol-1 K-1
Rotational121.43J mol-1 K-1
Vibrational64.94J mol-1 K-1
Total (Trans. + Rot. + Vib.)356.30J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation233.95kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 150.95 cm-1 View
  • 2 201.46 cm-1 View
  • 3 255.64 cm-1 View
  • 4 279.10 cm-1 View
  • 5 330.89 cm-1 View
  • 6 383.70 cm-1 View
  • 7 492.39 cm-1 View
  • 8 497.08 cm-1 View
  • 9 504.24 cm-1 View
  • 10 559.68 cm-1 View
  • 11 601.54 cm-1 View
  • 12 603.10 cm-1 View
  • 13 718.33 cm-1 View
  • 14 758.05 cm-1 View
  • 15 795.24 cm-1 View
  • 16 827.82 cm-1 View
  • 17 855.82 cm-1 View
  • 18 896.10 cm-1 View
  • 19 916.79 cm-1 View
  • 20 1006.01 cm-1 View
  • 21 1050.45 cm-1 View
  • 22 1078.51 cm-1 View
  • 23 1159.47 cm-1 View
  • 24 1193.74 cm-1 View
  • 25 1277.40 cm-1 View
  • 26 1343.82 cm-1 View
  • 27 1388.43 cm-1 View
  • 28 1420.11 cm-1 View
  • 29 1494.95 cm-1 View
  • 30 1570.58 cm-1 View
  • 31 1589.69 cm-1 View
  • 32 1662.85 cm-1 View
  • 33 1710.20 cm-1 View
  • 34 1765.57 cm-1 View
  • 35 2988.51 cm-1 View
  • 36 3055.25 cm-1 View
  • 37 3439.73 cm-1 View
  • 38 3461.57 cm-1 View
  • 39 3537.36 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-31.95kJ mol-1
Polar Solvation Energy-41.09kJ mol-1
Nonpolar Solvation Energy9.11kJ mol-1
Surface Area120.75Å2
Charge of Molecule0
Dipole3.44Debye