3-chlorophenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational260.56kJ mol-1
Total (Trans. + Rot. + Vib.)270.47kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational82.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)115.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.26J mol-1 K-1
Rotational120.62J mol-1 K-1
Vibrational55.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)344.89J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-118.52kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 170.34 cm-1 View
  • 2 205.26 cm-1 View
  • 3 246.39 cm-1 View
  • 4 310.84 cm-1 View
  • 5 402.66 cm-1 View
  • 6 405.65 cm-1 View
  • 7 456.77 cm-1 View
  • 8 538.61 cm-1 View
  • 9 560.83 cm-1 View
  • 10 630.01 cm-1 View
  • 11 695.58 cm-1 View
  • 12 808.08 cm-1 View
  • 13 909.74 cm-1 View
  • 14 927.10 cm-1 View
  • 15 933.88 cm-1 View
  • 16 995.78 cm-1 View
  • 17 1065.25 cm-1 View
  • 18 1103.52 cm-1 View
  • 19 1135.17 cm-1 View
  • 20 1157.29 cm-1 View
  • 21 1205.92 cm-1 View
  • 22 1273.80 cm-1 View
  • 23 1382.43 cm-1 View
  • 24 1408.61 cm-1 View
  • 25 1565.14 cm-1 View
  • 26 1605.38 cm-1 View
  • 27 1781.08 cm-1 View
  • 28 1786.80 cm-1 View
  • 29 3053.70 cm-1 View
  • 30 3063.72 cm-1 View
  • 31 3067.13 cm-1 View
  • 32 3076.07 cm-1 View
  • 33 3887.06 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.23kJ mol-1
Polar Solvation Energy-13.36kJ mol-1
Nonpolar Solvation Energy20.61kJ mol-1
Surface Area122.91Å2
Charge of Molecule0
Dipole2.62Debye