1,1,2-trichloroethane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational129.92kJ mol-1
Total (Trans. + Rot. + Vib.)139.83kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational54.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)88.24J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.64J mol-1 K-1
Rotational118.57J mol-1 K-1
Vibrational54.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)342.74J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-115.80kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 44.15 cm-1 View
  • 2 172.84 cm-1 View
  • 3 238.14 cm-1 View
  • 4 318.35 cm-1 View
  • 5 379.62 cm-1 View
  • 6 623.41 cm-1 View
  • 7 688.54 cm-1 View
  • 8 742.10 cm-1 View
  • 9 924.26 cm-1 View
  • 10 1073.07 cm-1 View
  • 11 1118.87 cm-1 View
  • 12 1151.71 cm-1 View
  • 13 1182.80 cm-1 View
  • 14 1282.72 cm-1 View
  • 15 1369.61 cm-1 View
  • 16 2945.32 cm-1 View
  • 17 3001.02 cm-1 View
  • 18 3058.10 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy38.44kJ mol-1
Polar Solvation Energy-8.49kJ mol-1
Nonpolar Solvation Energy46.94kJ mol-1
Surface Area128.53Å2
Charge of Molecule0
Dipole1.33Debye