Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational384.71kJ mol-1
Total (Trans. + Rot. + Vib.)394.62kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational126.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)159.54J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.99J mol-1 K-1
Rotational127.05J mol-1 K-1
Vibrational158.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)456.24J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-202.17kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 23.38 cm-1 View
  • 2 43.39 cm-1 View
  • 3 51.06 cm-1 View
  • 4 68.93 cm-1 View
  • 5 87.78 cm-1 View
  • 6 120.29 cm-1 View
  • 7 181.78 cm-1 View
  • 8 251.28 cm-1 View
  • 9 341.77 cm-1 View
  • 10 384.12 cm-1 View
  • 11 427.30 cm-1 View
  • 12 435.42 cm-1 View
  • 13 551.55 cm-1 View
  • 14 575.74 cm-1 View
  • 15 787.15 cm-1 View
  • 16 807.50 cm-1 View
  • 17 888.33 cm-1 View
  • 18 924.21 cm-1 View
  • 19 963.83 cm-1 View
  • 20 1036.11 cm-1 View
  • 21 1048.18 cm-1 View
  • 22 1062.86 cm-1 View
  • 23 1088.34 cm-1 View
  • 24 1095.16 cm-1 View
  • 25 1117.06 cm-1 View
  • 26 1130.82 cm-1 View
  • 27 1143.78 cm-1 View
  • 28 1147.83 cm-1 View
  • 29 1167.01 cm-1 View
  • 30 1274.36 cm-1 View
  • 31 1323.18 cm-1 View
  • 32 1340.11 cm-1 View
  • 33 1347.17 cm-1 View
  • 34 1365.48 cm-1 View
  • 35 1375.89 cm-1 View
  • 36 1378.85 cm-1 View
  • 37 1381.33 cm-1 View
  • 38 1396.22 cm-1 View
  • 39 2024.32 cm-1 View
  • 40 2917.32 cm-1 View
  • 41 2926.62 cm-1 View
  • 42 2932.31 cm-1 View
  • 43 2943.84 cm-1 View
  • 44 2976.51 cm-1 View
  • 45 2980.66 cm-1 View
  • 46 2985.60 cm-1 View
  • 47 3025.91 cm-1 View
  • 48 3890.57 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.37kJ mol-1
Polar Solvation Energy-32.45kJ mol-1
Nonpolar Solvation Energy29.09kJ mol-1
Surface Area149.44Å2
Charge of Molecule0
Dipole3.80Debye