Ethanethiol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational192.26kJ mol-1
Total (Trans. + Rot. + Vib.)202.18kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational38.71J mol-1 K-1
Total (Trans. + Rot. + Vib.)71.96J mol-1 K-1
Entropy
PropertyValueUnit
Translational160.22J mol-1 K-1
Rotational98.65J mol-1 K-1
Vibrational29.07J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.94J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-41.38kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 183.98 cm-1 View
  • 2 186.32 cm-1 View
  • 3 317.90 cm-1 View
  • 4 693.26 cm-1 View
  • 5 765.82 cm-1 View
  • 6 908.14 cm-1 View
  • 7 1018.70 cm-1 View
  • 8 1049.93 cm-1 View
  • 9 1116.79 cm-1 View
  • 10 1130.83 cm-1 View
  • 11 1240.19 cm-1 View
  • 12 1363.91 cm-1 View
  • 13 1398.65 cm-1 View
  • 14 1402.24 cm-1 View
  • 15 1413.36 cm-1 View
  • 16 1709.10 cm-1 View
  • 17 2981.63 cm-1 View
  • 18 3056.64 cm-1 View
  • 19 3076.98 cm-1 View
  • 20 3081.18 cm-1 View
  • 21 3178.28 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.90kJ mol-1
Polar Solvation Energy-18.68kJ mol-1
Nonpolar Solvation Energy14.80kJ mol-1
Surface Area91.78Å2
Charge of Molecule0
Dipole2.59Debye