3-sulfanylpropanoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational239.20kJ mol-1
Total (Trans. + Rot. + Vib.)249.12kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational79.25J mol-1 K-1
Total (Trans. + Rot. + Vib.)112.50J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.91J mol-1 K-1
Rotational116.08J mol-1 K-1
Vibrational86.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)369.57J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-401.81kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 43.16 cm-1 View
  • 2 57.27 cm-1 View
  • 3 129.99 cm-1 View
  • 4 158.49 cm-1 View
  • 5 263.41 cm-1 View
  • 6 400.85 cm-1 View
  • 7 505.32 cm-1 View
  • 8 511.16 cm-1 View
  • 9 560.85 cm-1 View
  • 10 787.02 cm-1 View
  • 11 803.19 cm-1 View
  • 12 905.25 cm-1 View
  • 13 945.41 cm-1 View
  • 14 979.04 cm-1 View
  • 15 1049.02 cm-1 View
  • 16 1128.21 cm-1 View
  • 17 1134.44 cm-1 View
  • 18 1196.15 cm-1 View
  • 19 1237.86 cm-1 View
  • 20 1312.89 cm-1 View
  • 21 1361.29 cm-1 View
  • 22 1395.65 cm-1 View
  • 23 1457.31 cm-1 View
  • 24 1715.39 cm-1 View
  • 25 1975.00 cm-1 View
  • 26 2941.90 cm-1 View
  • 27 2986.95 cm-1 View
  • 28 3019.40 cm-1 View
  • 29 3065.58 cm-1 View
  • 30 3851.79 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-16.25kJ mol-1
Polar Solvation Energy-32.50kJ mol-1
Nonpolar Solvation Energy16.22kJ mol-1
Surface Area116.14Å2
Charge of Molecule0
Dipole0.18Debye