4-sulfanylbenzoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational311.05kJ mol-1
Total (Trans. + Rot. + Vib.)320.97kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational117.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)150.80J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.57J mol-1 K-1
Rotational125.98J mol-1 K-1
Vibrational108.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)405.69J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-257.69kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 27.06 cm-1 View
  • 2 77.62 cm-1 View
  • 3 166.16 cm-1 View
  • 4 209.87 cm-1 View
  • 5 242.53 cm-1 View
  • 6 281.77 cm-1 View
  • 7 312.53 cm-1 View
  • 8 352.06 cm-1 View
  • 9 429.96 cm-1 View
  • 10 457.73 cm-1 View
  • 11 504.90 cm-1 View
  • 12 527.67 cm-1 View
  • 13 629.01 cm-1 View
  • 14 632.22 cm-1 View
  • 15 638.17 cm-1 View
  • 16 731.98 cm-1 View
  • 17 845.71 cm-1 View
  • 18 846.29 cm-1 View
  • 19 880.13 cm-1 View
  • 20 979.23 cm-1 View
  • 21 981.31 cm-1 View
  • 22 1005.54 cm-1 View
  • 23 1036.76 cm-1 View
  • 24 1127.85 cm-1 View
  • 25 1138.27 cm-1 View
  • 26 1171.52 cm-1 View
  • 27 1217.98 cm-1 View
  • 28 1232.89 cm-1 View
  • 29 1304.69 cm-1 View
  • 30 1322.52 cm-1 View
  • 31 1455.51 cm-1 View
  • 32 1529.03 cm-1 View
  • 33 1598.48 cm-1 View
  • 34 1693.17 cm-1 View
  • 35 1762.56 cm-1 View
  • 36 1788.47 cm-1 View
  • 37 1972.04 cm-1 View
  • 38 3037.83 cm-1 View
  • 39 3042.77 cm-1 View
  • 40 3051.81 cm-1 View
  • 41 3058.44 cm-1 View
  • 42 3852.64 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-17.21kJ mol-1
Polar Solvation Energy-30.15kJ mol-1
Nonpolar Solvation Energy12.96kJ mol-1
Surface Area139.66Å2
Charge of Molecule0
Dipole3.29Debye