3-sulfanylpropanoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational238.95kJ mol-1
Total (Trans. + Rot. + Vib.)248.87kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational79.22J mol-1 K-1
Total (Trans. + Rot. + Vib.)112.48J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.91J mol-1 K-1
Rotational116.16J mol-1 K-1
Vibrational81.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)364.72J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-405.40kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 47.35 cm-1 View
  • 2 65.26 cm-1 View
  • 3 161.81 cm-1 View
  • 4 184.49 cm-1 View
  • 5 276.60 cm-1 View
  • 6 402.89 cm-1 View
  • 7 504.04 cm-1 View
  • 8 509.68 cm-1 View
  • 9 560.58 cm-1 View
  • 10 736.52 cm-1 View
  • 11 793.83 cm-1 View
  • 12 886.79 cm-1 View
  • 13 951.80 cm-1 View
  • 14 1017.17 cm-1 View
  • 15 1068.23 cm-1 View
  • 16 1121.47 cm-1 View
  • 17 1127.36 cm-1 View
  • 18 1189.25 cm-1 View
  • 19 1237.21 cm-1 View
  • 20 1304.73 cm-1 View
  • 21 1360.50 cm-1 View
  • 22 1386.22 cm-1 View
  • 23 1455.14 cm-1 View
  • 24 1712.60 cm-1 View
  • 25 1976.77 cm-1 View
  • 26 2944.44 cm-1 View
  • 27 2977.93 cm-1 View
  • 28 3022.57 cm-1 View
  • 29 3057.41 cm-1 View
  • 30 3851.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-15.47kJ mol-1
Polar Solvation Energy-32.61kJ mol-1
Nonpolar Solvation Energy17.14kJ mol-1
Surface Area115.50Å2
Charge of Molecule0
Dipole2.60Debye