1-chloroethane-1,1-diol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational205.23kJ mol-1
Total (Trans. + Rot. + Vib.)215.14kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational67.36J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.62J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.67J mol-1 K-1
Rotational109.98J mol-1 K-1
Vibrational56.96J mol-1 K-1
Total (Trans. + Rot. + Vib.)332.61J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-487.03kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 110.96 cm-1 View
  • 2 139.70 cm-1 View
  • 3 268.82 cm-1 View
  • 4 316.61 cm-1 View
  • 5 343.52 cm-1 View
  • 6 407.99 cm-1 View
  • 7 427.85 cm-1 View
  • 8 496.67 cm-1 View
  • 9 571.13 cm-1 View
  • 10 943.85 cm-1 View
  • 11 970.53 cm-1 View
  • 12 1047.13 cm-1 View
  • 13 1218.98 cm-1 View
  • 14 1280.22 cm-1 View
  • 15 1368.03 cm-1 View
  • 16 1369.09 cm-1 View
  • 17 1388.23 cm-1 View
  • 18 1391.05 cm-1 View
  • 19 1468.19 cm-1 View
  • 20 3088.25 cm-1 View
  • 21 3092.75 cm-1 View
  • 22 3178.92 cm-1 View
  • 23 3881.65 cm-1 View
  • 24 3883.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.89kJ mol-1
Polar Solvation Energy-19.87kJ mol-1
Nonpolar Solvation Energy25.75kJ mol-1
Surface Area97.63Å2
Charge of Molecule0
Dipole1.06Debye