3-sulfanylpropane-1-sulfonic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational311.93kJ mol-1
Total (Trans. + Rot. + Vib.)321.84kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational129.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)162.29J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.72J mol-1 K-1
Rotational125.45J mol-1 K-1
Vibrational143.31J mol-1 K-1
Total (Trans. + Rot. + Vib.)440.49J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-535.73kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 28.37 cm-1 View
  • 2 47.08 cm-1 View
  • 3 78.66 cm-1 View
  • 4 128.18 cm-1 View
  • 5 145.13 cm-1 View
  • 6 160.65 cm-1 View
  • 7 220.24 cm-1 View
  • 8 271.61 cm-1 View
  • 9 292.13 cm-1 View
  • 10 358.06 cm-1 View
  • 11 384.93 cm-1 View
  • 12 396.11 cm-1 View
  • 13 466.05 cm-1 View
  • 14 672.38 cm-1 View
  • 15 701.37 cm-1 View
  • 16 758.55 cm-1 View
  • 17 787.22 cm-1 View
  • 18 861.62 cm-1 View
  • 19 890.16 cm-1 View
  • 20 891.85 cm-1 View
  • 21 931.66 cm-1 View
  • 22 989.74 cm-1 View
  • 23 1023.75 cm-1 View
  • 24 1059.20 cm-1 View
  • 25 1085.19 cm-1 View
  • 26 1124.04 cm-1 View
  • 27 1134.98 cm-1 View
  • 28 1149.87 cm-1 View
  • 29 1219.13 cm-1 View
  • 30 1247.59 cm-1 View
  • 31 1350.91 cm-1 View
  • 32 1374.13 cm-1 View
  • 33 1395.92 cm-1 View
  • 34 1401.21 cm-1 View
  • 35 1716.97 cm-1 View
  • 36 2933.32 cm-1 View
  • 37 2945.79 cm-1 View
  • 38 2985.13 cm-1 View
  • 39 3015.33 cm-1 View
  • 40 3041.41 cm-1 View
  • 41 3062.35 cm-1 View
  • 42 3909.55 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-37.65kJ mol-1
Polar Solvation Energy-63.84kJ mol-1
Nonpolar Solvation Energy26.21kJ mol-1
Surface Area136.81Å2
Charge of Molecule0
Dipole5.83Debye