Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational320.07kJ mol-1
Total (Trans. + Rot. + Vib.)329.99kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational118.73J mol-1 K-1
Total (Trans. + Rot. + Vib.)151.99J mol-1 K-1
Entropy
PropertyValueUnit
Translational174.82J mol-1 K-1
Rotational128.92J mol-1 K-1
Vibrational133.09J mol-1 K-1
Total (Trans. + Rot. + Vib.)436.83J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation22.60kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 40.31 cm-1 View
  • 2 42.42 cm-1 View
  • 3 99.49 cm-1 View
  • 4 123.19 cm-1 View
  • 5 154.03 cm-1 View
  • 6 191.12 cm-1 View
  • 7 205.30 cm-1 View
  • 8 268.90 cm-1 View
  • 9 308.90 cm-1 View
  • 10 316.46 cm-1 View
  • 11 385.57 cm-1 View
  • 12 478.16 cm-1 View
  • 13 697.81 cm-1 View
  • 14 718.48 cm-1 View
  • 15 737.24 cm-1 View
  • 16 884.75 cm-1 View
  • 17 932.60 cm-1 View
  • 18 951.14 cm-1 View
  • 19 961.83 cm-1 View
  • 20 1010.81 cm-1 View
  • 21 1074.92 cm-1 View
  • 22 1104.75 cm-1 View
  • 23 1112.04 cm-1 View
  • 24 1129.72 cm-1 View
  • 25 1172.23 cm-1 View
  • 26 1196.46 cm-1 View
  • 27 1229.70 cm-1 View
  • 28 1258.59 cm-1 View
  • 29 1328.41 cm-1 View
  • 30 1361.26 cm-1 View
  • 31 1386.42 cm-1 View
  • 32 1399.64 cm-1 View
  • 33 1401.45 cm-1 View
  • 34 1703.26 cm-1 View
  • 35 1711.95 cm-1 View
  • 36 2890.87 cm-1 View
  • 37 2901.41 cm-1 View
  • 38 2994.39 cm-1 View
  • 39 3050.31 cm-1 View
  • 40 3063.39 cm-1 View
  • 41 3078.93 cm-1 View
  • 42 3168.63 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy0.90kJ mol-1
Polar Solvation Energy-35.43kJ mol-1
Nonpolar Solvation Energy36.32kJ mol-1
Surface Area152.29Å2
Charge of Molecule0
Dipole3.86Debye