4-aminobenzenethiol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational306.01kJ mol-1
Total (Trans. + Rot. + Vib.)315.93kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational93.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)126.38J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.97J mol-1 K-1
Rotational119.87J mol-1 K-1
Vibrational69.08J mol-1 K-1
Total (Trans. + Rot. + Vib.)357.91J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation123.51kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 25.01 cm-1 View
  • 2 102.44 cm-1 View
  • 3 144.81 cm-1 View
  • 4 235.09 cm-1 View
  • 5 290.91 cm-1 View
  • 6 345.67 cm-1 View
  • 7 383.31 cm-1 View
  • 8 386.49 cm-1 View
  • 9 426.15 cm-1 View
  • 10 506.71 cm-1 View
  • 11 639.92 cm-1 View
  • 12 658.17 cm-1 View
  • 13 666.93 cm-1 View
  • 14 826.27 cm-1 View
  • 15 850.38 cm-1 View
  • 16 906.99 cm-1 View
  • 17 962.22 cm-1 View
  • 18 979.21 cm-1 View
  • 19 979.35 cm-1 View
  • 20 1028.98 cm-1 View
  • 21 1051.78 cm-1 View
  • 22 1142.50 cm-1 View
  • 23 1168.36 cm-1 View
  • 24 1175.47 cm-1 View
  • 25 1231.78 cm-1 View
  • 26 1348.88 cm-1 View
  • 27 1408.00 cm-1 View
  • 28 1542.72 cm-1 View
  • 29 1572.47 cm-1 View
  • 30 1627.51 cm-1 View
  • 31 1699.89 cm-1 View
  • 32 1755.73 cm-1 View
  • 33 1783.54 cm-1 View
  • 34 3041.16 cm-1 View
  • 35 3043.33 cm-1 View
  • 36 3059.87 cm-1 View
  • 37 3063.20 cm-1 View
  • 38 3500.53 cm-1 View
  • 39 3553.89 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-15.85kJ mol-1
Polar Solvation Energy-27.31kJ mol-1
Nonpolar Solvation Energy11.45kJ mol-1
Surface Area123.89Å2
Charge of Molecule0
Dipole4.70Debye