Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational477.94kJ mol-1
Total (Trans. + Rot. + Vib.)487.86kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational106.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)139.97J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.15J mol-1 K-1
Rotational116.51J mol-1 K-1
Vibrational76.90J mol-1 K-1
Total (Trans. + Rot. + Vib.)360.56J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation239.78kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 52.54 cm-1 View
  • 2 220.76 cm-1 View
  • 3 244.40 cm-1 View
  • 4 258.55 cm-1 View
  • 5 335.33 cm-1 View
  • 6 355.08 cm-1 View
  • 7 372.30 cm-1 View
  • 8 446.39 cm-1 View
  • 9 473.98 cm-1 View
  • 10 524.76 cm-1 View
  • 11 582.44 cm-1 View
  • 12 707.24 cm-1 View
  • 13 796.02 cm-1 View
  • 14 803.10 cm-1 View
  • 15 880.80 cm-1 View
  • 16 914.84 cm-1 View
  • 17 933.64 cm-1 View
  • 18 939.91 cm-1 View
  • 19 961.87 cm-1 View
  • 20 970.29 cm-1 View
  • 21 1003.69 cm-1 View
  • 22 1064.82 cm-1 View
  • 23 1083.26 cm-1 View
  • 24 1103.51 cm-1 View
  • 25 1105.60 cm-1 View
  • 26 1132.40 cm-1 View
  • 27 1184.13 cm-1 View
  • 28 1207.63 cm-1 View
  • 29 1226.90 cm-1 View
  • 30 1300.15 cm-1 View
  • 31 1325.66 cm-1 View
  • 32 1348.47 cm-1 View
  • 33 1396.75 cm-1 View
  • 34 1397.32 cm-1 View
  • 35 1399.68 cm-1 View
  • 36 1404.41 cm-1 View
  • 37 1408.22 cm-1 View
  • 38 1415.44 cm-1 View
  • 39 1417.75 cm-1 View
  • 40 1419.99 cm-1 View
  • 41 1541.10 cm-1 View
  • 42 2077.89 cm-1 View
  • 43 2957.66 cm-1 View
  • 44 2965.55 cm-1 View
  • 45 3038.94 cm-1 View
  • 46 3044.10 cm-1 View
  • 47 3075.07 cm-1 View
  • 48 3077.01 cm-1 View
  • 49 3080.81 cm-1 View
  • 50 3082.27 cm-1 View
  • 51 3114.39 cm-1 View
  • 52 3121.77 cm-1 View
  • 53 3174.89 cm-1 View
  • 54 3176.50 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.16kJ mol-1
Polar Solvation Energy-6.52kJ mol-1
Nonpolar Solvation Energy18.68kJ mol-1
Surface Area110.84Å2
Charge of Molecule0
Dipole1.84Debye