Chlorocyclohexane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational423.32kJ mol-1
Total (Trans. + Rot. + Vib.)433.24kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational85.91J mol-1 K-1
Total (Trans. + Rot. + Vib.)119.17J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.25J mol-1 K-1
Rotational116.94J mol-1 K-1
Vibrational56.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)341.41J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-152.93kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 119.76 cm-1 View
  • 2 177.66 cm-1 View
  • 3 273.01 cm-1 View
  • 4 317.85 cm-1 View
  • 5 354.96 cm-1 View
  • 6 469.73 cm-1 View
  • 7 503.65 cm-1 View
  • 8 564.58 cm-1 View
  • 9 705.01 cm-1 View
  • 10 814.70 cm-1 View
  • 11 884.41 cm-1 View
  • 12 920.86 cm-1 View
  • 13 941.68 cm-1 View
  • 14 953.32 cm-1 View
  • 15 953.62 cm-1 View
  • 16 965.36 cm-1 View
  • 17 1049.68 cm-1 View
  • 18 1080.66 cm-1 View
  • 19 1090.55 cm-1 View
  • 20 1098.14 cm-1 View
  • 21 1100.17 cm-1 View
  • 22 1145.18 cm-1 View
  • 23 1153.98 cm-1 View
  • 24 1159.01 cm-1 View
  • 25 1164.99 cm-1 View
  • 26 1198.28 cm-1 View
  • 27 1245.94 cm-1 View
  • 28 1303.23 cm-1 View
  • 29 1317.41 cm-1 View
  • 30 1349.67 cm-1 View
  • 31 1359.45 cm-1 View
  • 32 1364.36 cm-1 View
  • 33 1393.70 cm-1 View
  • 34 1400.64 cm-1 View
  • 35 1408.30 cm-1 View
  • 36 1409.22 cm-1 View
  • 37 1415.30 cm-1 View
  • 38 2923.50 cm-1 View
  • 39 2953.08 cm-1 View
  • 40 2955.27 cm-1 View
  • 41 2961.25 cm-1 View
  • 42 2964.37 cm-1 View
  • 43 2968.89 cm-1 View
  • 44 3031.87 cm-1 View
  • 45 3032.88 cm-1 View
  • 46 3037.54 cm-1 View
  • 47 3039.41 cm-1 View
  • 48 3044.33 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy24.46kJ mol-1
Polar Solvation Energy-6.58kJ mol-1
Nonpolar Solvation Energy31.06kJ mol-1
Surface Area115.66Å2
Charge of Molecule0
Dipole2.15Debye