1-chloro-2-(2-chloroethylsulfanyl)ethane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational311.30kJ mol-1
Total (Trans. + Rot. + Vib.)321.22kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational104.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)137.54J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.88J mol-1 K-1
Rotational127.08J mol-1 K-1
Vibrational137.06J mol-1 K-1
Total (Trans. + Rot. + Vib.)436.02J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-98.41kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 34.06 cm-1 View
  • 2 43.25 cm-1 View
  • 3 61.93 cm-1 View
  • 4 63.66 cm-1 View
  • 5 65.02 cm-1 View
  • 6 203.87 cm-1 View
  • 7 208.72 cm-1 View
  • 8 324.17 cm-1 View
  • 9 328.77 cm-1 View
  • 10 688.06 cm-1 View
  • 11 698.03 cm-1 View
  • 12 779.27 cm-1 View
  • 13 779.87 cm-1 View
  • 14 781.19 cm-1 View
  • 15 822.34 cm-1 View
  • 16 935.08 cm-1 View
  • 17 939.32 cm-1 View
  • 18 1042.20 cm-1 View
  • 19 1042.47 cm-1 View
  • 20 1118.79 cm-1 View
  • 21 1122.30 cm-1 View
  • 22 1123.04 cm-1 View
  • 23 1128.33 cm-1 View
  • 24 1190.15 cm-1 View
  • 25 1199.39 cm-1 View
  • 26 1286.23 cm-1 View
  • 27 1293.83 cm-1 View
  • 28 1362.81 cm-1 View
  • 29 1363.59 cm-1 View
  • 30 1398.38 cm-1 View
  • 31 1401.51 cm-1 View
  • 32 2975.65 cm-1 View
  • 33 2978.17 cm-1 View
  • 34 3002.57 cm-1 View
  • 35 3002.71 cm-1 View
  • 36 3054.77 cm-1 View
  • 37 3055.17 cm-1 View
  • 38 3056.24 cm-1 View
  • 39 3057.39 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy27.74kJ mol-1
Polar Solvation Energy-21.70kJ mol-1
Nonpolar Solvation Energy49.45kJ mol-1
Surface Area160.97Å2
Charge of Molecule0
Dipole0.45Debye