Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational459.64kJ mol-1
Total (Trans. + Rot. + Vib.)469.55kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational128.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)161.37J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.97J mol-1 K-1
Rotational122.98J mol-1 K-1
Vibrational131.79J mol-1 K-1
Total (Trans. + Rot. + Vib.)423.75J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation191.84kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 37.61 cm-1 View
  • 2 59.59 cm-1 View
  • 3 77.00 cm-1 View
  • 4 103.90 cm-1 View
  • 5 157.41 cm-1 View
  • 6 214.27 cm-1 View
  • 7 251.79 cm-1 View
  • 8 285.18 cm-1 View
  • 9 335.11 cm-1 View
  • 10 367.99 cm-1 View
  • 11 472.95 cm-1 View
  • 12 509.28 cm-1 View
  • 13 538.06 cm-1 View
  • 14 745.74 cm-1 View
  • 15 778.94 cm-1 View
  • 16 821.95 cm-1 View
  • 17 891.05 cm-1 View
  • 18 897.75 cm-1 View
  • 19 906.02 cm-1 View
  • 20 949.70 cm-1 View
  • 21 977.98 cm-1 View
  • 22 1007.81 cm-1 View
  • 23 1027.78 cm-1 View
  • 24 1041.20 cm-1 View
  • 25 1062.06 cm-1 View
  • 26 1088.75 cm-1 View
  • 27 1101.81 cm-1 View
  • 28 1117.39 cm-1 View
  • 29 1120.52 cm-1 View
  • 30 1156.76 cm-1 View
  • 31 1170.41 cm-1 View
  • 32 1179.20 cm-1 View
  • 33 1193.70 cm-1 View
  • 34 1258.66 cm-1 View
  • 35 1291.02 cm-1 View
  • 36 1306.99 cm-1 View
  • 37 1370.45 cm-1 View
  • 38 1378.64 cm-1 View
  • 39 1399.44 cm-1 View
  • 40 1418.62 cm-1 View
  • 41 1669.41 cm-1 View
  • 42 1766.59 cm-1 View
  • 43 1890.85 cm-1 View
  • 44 2816.34 cm-1 View
  • 45 2915.76 cm-1 View
  • 46 2929.63 cm-1 View
  • 47 2969.26 cm-1 View
  • 48 3010.06 cm-1 View
  • 49 3213.49 cm-1 View
  • 50 3221.79 cm-1 View
  • 51 3237.64 cm-1 View
  • 52 3391.31 cm-1 View
  • 53 3524.04 cm-1 View
  • 54 3914.87 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.05kJ mol-1
Polar Solvation Energy-18.41kJ mol-1
Nonpolar Solvation Energy23.49kJ mol-1
Surface Area123.22Å2
Charge of Molecule0
Dipole0.67Debye