6-sulfanylhexan-1-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational512.44kJ mol-1
Total (Trans. + Rot. + Vib.)522.36kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational135.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)168.79J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.84J mol-1 K-1
Rotational126.50J mol-1 K-1
Vibrational146.72J mol-1 K-1
Total (Trans. + Rot. + Vib.)443.05J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-283.53kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 43.48 cm-1 View
  • 2 56.70 cm-1 View
  • 3 66.20 cm-1 View
  • 4 101.61 cm-1 View
  • 5 122.76 cm-1 View
  • 6 157.83 cm-1 View
  • 7 184.95 cm-1 View
  • 8 203.22 cm-1 View
  • 9 298.83 cm-1 View
  • 10 304.81 cm-1 View
  • 11 394.52 cm-1 View
  • 12 435.82 cm-1 View
  • 13 528.38 cm-1 View
  • 14 683.12 cm-1 View
  • 15 763.77 cm-1 View
  • 16 778.71 cm-1 View
  • 17 823.43 cm-1 View
  • 18 903.44 cm-1 View
  • 19 918.98 cm-1 View
  • 20 947.15 cm-1 View
  • 21 1005.42 cm-1 View
  • 22 1039.65 cm-1 View
  • 23 1052.29 cm-1 View
  • 24 1069.47 cm-1 View
  • 25 1083.19 cm-1 View
  • 26 1102.22 cm-1 View
  • 27 1115.94 cm-1 View
  • 28 1131.44 cm-1 View
  • 29 1141.05 cm-1 View
  • 30 1144.56 cm-1 View
  • 31 1152.69 cm-1 View
  • 32 1163.79 cm-1 View
  • 33 1171.34 cm-1 View
  • 34 1213.33 cm-1 View
  • 35 1225.26 cm-1 View
  • 36 1274.56 cm-1 View
  • 37 1311.19 cm-1 View
  • 38 1340.19 cm-1 View
  • 39 1377.23 cm-1 View
  • 40 1378.92 cm-1 View
  • 41 1385.03 cm-1 View
  • 42 1390.78 cm-1 View
  • 43 1404.75 cm-1 View
  • 44 1411.26 cm-1 View
  • 45 1421.20 cm-1 View
  • 46 1432.96 cm-1 View
  • 47 1709.71 cm-1 View
  • 48 2908.34 cm-1 View
  • 49 2918.64 cm-1 View
  • 50 2943.93 cm-1 View
  • 51 2947.15 cm-1 View
  • 52 2958.73 cm-1 View
  • 53 2968.89 cm-1 View
  • 54 2974.45 cm-1 View
  • 55 3009.90 cm-1 View
  • 56 3025.12 cm-1 View
  • 57 3028.43 cm-1 View
  • 58 3038.25 cm-1 View
  • 59 3050.38 cm-1 View
  • 60 3909.40 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-1.26kJ mol-1
Polar Solvation Energy-26.94kJ mol-1
Nonpolar Solvation Energy25.67kJ mol-1
Surface Area134.44Å2
Charge of Molecule0
Dipole2.39Debye