1-chloro-4-fluorobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational227.27kJ mol-1
Total (Trans. + Rot. + Vib.)237.19kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational74.44J mol-1 K-1
Total (Trans. + Rot. + Vib.)107.70J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.45J mol-1 K-1
Rotational119.90J mol-1 K-1
Vibrational49.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)338.93J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-111.44kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 115.55 cm-1 View
  • 2 261.70 cm-1 View
  • 3 315.50 cm-1 View
  • 4 362.87 cm-1 View
  • 5 371.96 cm-1 View
  • 6 458.65 cm-1 View
  • 7 510.69 cm-1 View
  • 8 643.11 cm-1 View
  • 9 643.26 cm-1 View
  • 10 666.15 cm-1 View
  • 11 846.67 cm-1 View
  • 12 874.45 cm-1 View
  • 13 904.56 cm-1 View
  • 14 979.08 cm-1 View
  • 15 994.03 cm-1 View
  • 16 1045.28 cm-1 View
  • 17 1122.17 cm-1 View
  • 18 1150.20 cm-1 View
  • 19 1166.17 cm-1 View
  • 20 1211.57 cm-1 View
  • 21 1306.40 cm-1 View
  • 22 1446.42 cm-1 View
  • 23 1538.23 cm-1 View
  • 24 1674.85 cm-1 View
  • 25 1764.00 cm-1 View
  • 26 1810.68 cm-1 View
  • 27 3057.00 cm-1 View
  • 28 3058.61 cm-1 View
  • 29 3072.45 cm-1 View
  • 30 3075.84 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy18.07kJ mol-1
Polar Solvation Energy-7.98kJ mol-1
Nonpolar Solvation Energy26.08kJ mol-1
Surface Area121.63Å2
Charge of Molecule0
Dipole0.79Debye