Benzenethiol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational261.73kJ mol-1
Total (Trans. + Rot. + Vib.)271.64kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.77J mol-1 K-1
Total (Trans. + Rot. + Vib.)107.03J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.37J mol-1 K-1
Rotational116.18J mol-1 K-1
Vibrational48.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)332.13J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation115.67kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 157.79 cm-1 View
  • 2 193.86 cm-1 View
  • 3 262.41 cm-1 View
  • 4 352.60 cm-1 View
  • 5 420.32 cm-1 View
  • 6 448.81 cm-1 View
  • 7 626.22 cm-1 View
  • 8 636.93 cm-1 View
  • 9 722.39 cm-1 View
  • 10 769.50 cm-1 View
  • 11 845.10 cm-1 View
  • 12 930.97 cm-1 View
  • 13 976.84 cm-1 View
  • 14 978.08 cm-1 View
  • 15 997.83 cm-1 View
  • 16 1015.91 cm-1 View
  • 17 1078.73 cm-1 View
  • 18 1099.51 cm-1 View
  • 19 1149.96 cm-1 View
  • 20 1153.80 cm-1 View
  • 21 1216.87 cm-1 View
  • 22 1263.20 cm-1 View
  • 23 1307.74 cm-1 View
  • 24 1534.15 cm-1 View
  • 25 1548.07 cm-1 View
  • 26 1695.67 cm-1 View
  • 27 1771.10 cm-1 View
  • 28 1780.89 cm-1 View
  • 29 3045.38 cm-1 View
  • 30 3047.92 cm-1 View
  • 31 3059.06 cm-1 View
  • 32 3066.15 cm-1 View
  • 33 3078.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.00kJ mol-1
Polar Solvation Energy-18.38kJ mol-1
Nonpolar Solvation Energy9.36kJ mol-1
Surface Area117.25Å2
Charge of Molecule0
Dipole2.33Debye