3-sulfanylpropan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational283.98kJ mol-1
Total (Trans. + Rot. + Vib.)293.90kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.76J mol-1 K-1
Total (Trans. + Rot. + Vib.)107.02J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.14J mol-1 K-1
Rotational111.99J mol-1 K-1
Vibrational69.39J mol-1 K-1
Total (Trans. + Rot. + Vib.)346.52J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-231.31kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 80.15 cm-1 View
  • 2 96.11 cm-1 View
  • 3 179.59 cm-1 View
  • 4 192.48 cm-1 View
  • 5 333.36 cm-1 View
  • 6 340.77 cm-1 View
  • 7 463.71 cm-1 View
  • 8 737.56 cm-1 View
  • 9 781.39 cm-1 View
  • 10 826.42 cm-1 View
  • 11 927.08 cm-1 View
  • 12 1014.57 cm-1 View
  • 13 1051.40 cm-1 View
  • 14 1081.10 cm-1 View
  • 15 1109.44 cm-1 View
  • 16 1128.50 cm-1 View
  • 17 1133.83 cm-1 View
  • 18 1153.94 cm-1 View
  • 19 1198.01 cm-1 View
  • 20 1300.38 cm-1 View
  • 21 1356.27 cm-1 View
  • 22 1375.12 cm-1 View
  • 23 1376.57 cm-1 View
  • 24 1400.99 cm-1 View
  • 25 1410.93 cm-1 View
  • 26 1707.86 cm-1 View
  • 27 2933.85 cm-1 View
  • 28 2953.78 cm-1 View
  • 29 2977.34 cm-1 View
  • 30 3025.09 cm-1 View
  • 31 3032.74 cm-1 View
  • 32 3051.46 cm-1 View
  • 33 3885.84 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.02kJ mol-1
Polar Solvation Energy-26.57kJ mol-1
Nonpolar Solvation Energy17.56kJ mol-1
Surface Area101.63Å2
Charge of Molecule0
Dipole0.91Debye