1,2-dichloroethyne

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational152.26kJ mol-1
Total (Trans. + Rot. + Vib.)162.18kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational39.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)72.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.92J mol-1 K-1
Rotational110.02J mol-1 K-1
Vibrational36.00J mol-1 K-1
Total (Trans. + Rot. + Vib.)311.94J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-100.61kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 55.94 cm-1 View
  • 2 249.27 cm-1 View
  • 3 403.81 cm-1 View
  • 4 631.12 cm-1 View
  • 5 647.49 cm-1 View
  • 6 891.18 cm-1 View
  • 7 953.32 cm-1 View
  • 8 1074.82 cm-1 View
  • 9 1102.41 cm-1 View
  • 10 1129.66 cm-1 View
  • 11 1228.07 cm-1 View
  • 12 1287.06 cm-1 View
  • 13 1361.84 cm-1 View
  • 14 1386.56 cm-1 View
  • 15 3001.09 cm-1 View
  • 16 3005.44 cm-1 View
  • 17 3057.97 cm-1 View
  • 18 3062.01 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy24.56kJ mol-1
Polar Solvation Energy-11.38kJ mol-1
Nonpolar Solvation Energy35.95kJ mol-1
Surface Area108.91Å2
Charge of Molecule0
Dipole2.70Debye