1h-pyridine-4-thione

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational240.03kJ mol-1
Total (Trans. + Rot. + Vib.)249.94kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational70.11J mol-1 K-1
Total (Trans. + Rot. + Vib.)103.36J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.48J mol-1 K-1
Rotational115.89J mol-1 K-1
Vibrational48.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.65J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation238.99kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 109.25 cm-1 View
  • 2 236.67 cm-1 View
  • 3 283.24 cm-1 View
  • 4 370.37 cm-1 View
  • 5 427.80 cm-1 View
  • 6 439.44 cm-1 View
  • 7 619.49 cm-1 View
  • 8 632.73 cm-1 View
  • 9 743.44 cm-1 View
  • 10 823.64 cm-1 View
  • 11 834.24 cm-1 View
  • 12 966.42 cm-1 View
  • 13 972.67 cm-1 View
  • 14 977.86 cm-1 View
  • 15 1031.96 cm-1 View
  • 16 1080.68 cm-1 View
  • 17 1115.89 cm-1 View
  • 18 1160.81 cm-1 View
  • 19 1193.09 cm-1 View
  • 20 1233.65 cm-1 View
  • 21 1390.47 cm-1 View
  • 22 1439.48 cm-1 View
  • 23 1584.72 cm-1 View
  • 24 1690.71 cm-1 View
  • 25 1728.40 cm-1 View
  • 26 3020.01 cm-1 View
  • 27 3021.95 cm-1 View
  • 28 3046.59 cm-1 View
  • 29 3049.79 cm-1 View
  • 30 3425.23 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-73.48kJ mol-1
Polar Solvation Energy-92.61kJ mol-1
Nonpolar Solvation Energy19.14kJ mol-1
Surface Area108.26Å2
Charge of Molecule0
Dipole14.80Debye