Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational233.26kJ mol-1
Total (Trans. + Rot. + Vib.)243.17kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational101.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)135.18J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.73J mol-1 K-1
Rotational124.34J mol-1 K-1
Vibrational75.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)371.03J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-231.33kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 153.25 cm-1 View
  • 2 184.34 cm-1 View
  • 3 201.55 cm-1 View
  • 4 211.36 cm-1 View
  • 5 292.10 cm-1 View
  • 6 292.57 cm-1 View
  • 7 425.09 cm-1 View
  • 8 444.01 cm-1 View
  • 9 452.39 cm-1 View
  • 10 468.16 cm-1 View
  • 11 529.96 cm-1 View
  • 12 567.45 cm-1 View
  • 13 585.92 cm-1 View
  • 14 628.16 cm-1 View
  • 15 713.73 cm-1 View
  • 16 919.15 cm-1 View
  • 17 920.33 cm-1 View
  • 18 980.34 cm-1 View
  • 19 1067.34 cm-1 View
  • 20 1085.72 cm-1 View
  • 21 1144.66 cm-1 View
  • 22 1241.60 cm-1 View
  • 23 1265.82 cm-1 View
  • 24 1364.21 cm-1 View
  • 25 1413.70 cm-1 View
  • 26 1569.07 cm-1 View
  • 27 1595.26 cm-1 View
  • 28 1671.08 cm-1 View
  • 29 1737.19 cm-1 View
  • 30 1740.22 cm-1 View
  • 31 3096.38 cm-1 View
  • 32 3846.74 cm-1 View
  • 33 3851.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-16.82kJ mol-1
Polar Solvation Energy-28.80kJ mol-1
Nonpolar Solvation Energy12.00kJ mol-1
Surface Area131.63Å2
Charge of Molecule0
Dipole1.90Debye