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
Vibrational308.47kJ mol-1
Total (Trans. + Rot. + Vib.)318.38kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational95.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)128.93J mol-1 K-1
Entropy
PropertyValueUnit
Translational171.88J mol-1 K-1
Rotational127.93J mol-1 K-1
Vibrational104.64J mol-1 K-1
Total (Trans. + Rot. + Vib.)404.45J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-99.07kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 4.84 cm-1 View
  • 2 29.99 cm-1 View
  • 3 52.66 cm-1 View
  • 4 82.62 cm-1 View
  • 5 193.87 cm-1 View
  • 6 234.89 cm-1 View
  • 7 247.29 cm-1 View
  • 8 316.16 cm-1 View
  • 9 385.33 cm-1 View
  • 10 622.49 cm-1 View
  • 11 685.42 cm-1 View
  • 12 695.65 cm-1 View
  • 13 764.89 cm-1 View
  • 14 780.71 cm-1 View
  • 15 874.70 cm-1 View
  • 16 919.36 cm-1 View
  • 17 953.97 cm-1 View
  • 18 1047.80 cm-1 View
  • 19 1063.85 cm-1 View
  • 20 1098.89 cm-1 View
  • 21 1122.56 cm-1 View
  • 22 1124.97 cm-1 View
  • 23 1128.18 cm-1 View
  • 24 1189.57 cm-1 View
  • 25 1216.01 cm-1 View
  • 26 1277.93 cm-1 View
  • 27 1282.88 cm-1 View
  • 28 1358.25 cm-1 View
  • 29 1361.44 cm-1 View
  • 30 1381.11 cm-1 View
  • 31 1392.56 cm-1 View
  • 32 2977.15 cm-1 View
  • 33 2982.37 cm-1 View
  • 34 2994.05 cm-1 View
  • 35 2998.87 cm-1 View
  • 36 3050.19 cm-1 View
  • 37 3054.42 cm-1 View
  • 38 3056.89 cm-1 View
  • 39 3061.65 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy25.39kJ mol-1
Polar Solvation Energy-22.98kJ mol-1
Nonpolar Solvation Energy48.36kJ mol-1
Surface Area152.66Å2
Charge of Molecule0
Dipole2.10Debye