Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational309.52kJ mol-1
Total (Trans. + Rot. + Vib.)319.43kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational125.38J mol-1 K-1
Total (Trans. + Rot. + Vib.)158.64J mol-1 K-1
Entropy
PropertyValueUnit
Translational173.09J mol-1 K-1
Rotational127.11J mol-1 K-1
Vibrational133.39J mol-1 K-1
Total (Trans. + Rot. + Vib.)433.58J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-204.52kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 46.82 cm-1 View
  • 2 54.75 cm-1 View
  • 3 91.96 cm-1 View
  • 4 148.09 cm-1 View
  • 5 159.11 cm-1 View
  • 6 186.87 cm-1 View
  • 7 218.13 cm-1 View
  • 8 232.48 cm-1 View
  • 9 288.60 cm-1 View
  • 10 338.01 cm-1 View
  • 11 351.72 cm-1 View
  • 12 411.53 cm-1 View
  • 13 626.22 cm-1 View
  • 14 666.75 cm-1 View
  • 15 704.98 cm-1 View
  • 16 762.70 cm-1 View
  • 17 773.23 cm-1 View
  • 18 837.75 cm-1 View
  • 19 939.39 cm-1 View
  • 20 966.31 cm-1 View
  • 21 1028.32 cm-1 View
  • 22 1040.32 cm-1 View
  • 23 1079.78 cm-1 View
  • 24 1107.26 cm-1 View
  • 25 1138.67 cm-1 View
  • 26 1147.08 cm-1 View
  • 27 1198.53 cm-1 View
  • 28 1235.94 cm-1 View
  • 29 1281.54 cm-1 View
  • 30 1307.16 cm-1 View
  • 31 1353.89 cm-1 View
  • 32 1359.37 cm-1 View
  • 33 1382.11 cm-1 View
  • 34 1411.53 cm-1 View
  • 35 1703.60 cm-1 View
  • 36 2762.64 cm-1 View
  • 37 2878.93 cm-1 View
  • 38 2891.83 cm-1 View
  • 39 2970.75 cm-1 View
  • 40 3047.27 cm-1 View
  • 41 3074.56 cm-1 View
  • 42 3139.90 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.81kJ mol-1
Polar Solvation Energy-24.76kJ mol-1
Nonpolar Solvation Energy38.58kJ mol-1
Surface Area143.86Å2
Charge of Molecule0
Dipole1.83Debye