Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational347.88kJ mol-1
Total (Trans. + Rot. + Vib.)357.79kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational106.80J mol-1 K-1
Total (Trans. + Rot. + Vib.)140.06J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.47J mol-1 K-1
Rotational124.01J mol-1 K-1
Vibrational90.79J mol-1 K-1
Total (Trans. + Rot. + Vib.)385.27J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-67.39kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 5.77 cm-1 View
  • 2 9.11 cm-1 View
  • 3 14.56 cm-1 View
  • 4 41.86 cm-1 View
  • 5 98.68 cm-1 View
  • 6 189.36 cm-1 View
  • 7 262.81 cm-1 View
  • 8 305.43 cm-1 View
  • 9 337.54 cm-1 View
  • 10 356.59 cm-1 View
  • 11 385.64 cm-1 View
  • 12 483.46 cm-1 View
  • 13 495.80 cm-1 View
  • 14 497.65 cm-1 View
  • 15 641.87 cm-1 View
  • 16 650.71 cm-1 View
  • 17 660.20 cm-1 View
  • 18 827.92 cm-1 View
  • 19 852.67 cm-1 View
  • 20 857.80 cm-1 View
  • 21 954.80 cm-1 View
  • 22 965.95 cm-1 View
  • 23 970.68 cm-1 View
  • 24 1024.43 cm-1 View
  • 25 1068.06 cm-1 View
  • 26 1159.24 cm-1 View
  • 27 1190.23 cm-1 View
  • 28 1222.68 cm-1 View
  • 29 1279.13 cm-1 View
  • 30 1292.79 cm-1 View
  • 31 1385.02 cm-1 View
  • 32 1446.64 cm-1 View
  • 33 1466.14 cm-1 View
  • 34 1570.35 cm-1 View
  • 35 1591.54 cm-1 View
  • 36 1633.65 cm-1 View
  • 37 1773.80 cm-1 View
  • 38 1798.44 cm-1 View
  • 39 3051.75 cm-1 View
  • 40 3055.14 cm-1 View
  • 41 3066.40 cm-1 View
  • 42 3071.35 cm-1 View
  • 43 3883.93 cm-1 View
  • 44 3892.00 cm-1 View
  • 45 3902.66 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-22.28kJ mol-1
Polar Solvation Energy-32.64kJ mol-1
Nonpolar Solvation Energy10.32kJ mol-1
Surface Area126.79Å2
Charge of Molecule0
Dipole3.56Debye