1,1,1,3,3,3-hexafluoropropan-2-ol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational187.16kJ mol-1
Total (Trans. + Rot. + Vib.)197.07kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational109.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)142.47J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.65J mol-1 K-1
Rotational123.43J mol-1 K-1
Vibrational104.46J mol-1 K-1
Total (Trans. + Rot. + Vib.)400.54J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-1521.94kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 26.49 cm-1 View
  • 2 102.58 cm-1 View
  • 3 186.56 cm-1 View
  • 4 254.03 cm-1 View
  • 5 263.21 cm-1 View
  • 6 285.84 cm-1 View
  • 7 302.58 cm-1 View
  • 8 325.73 cm-1 View
  • 9 345.58 cm-1 View
  • 10 440.92 cm-1 View
  • 11 484.69 cm-1 View
  • 12 499.78 cm-1 View
  • 13 514.41 cm-1 View
  • 14 575.26 cm-1 View
  • 15 634.57 cm-1 View
  • 16 695.19 cm-1 View
  • 17 868.65 cm-1 View
  • 18 937.51 cm-1 View
  • 19 1088.92 cm-1 View
  • 20 1169.97 cm-1 View
  • 21 1304.76 cm-1 View
  • 22 1361.10 cm-1 View
  • 23 1387.97 cm-1 View
  • 24 1398.68 cm-1 View
  • 25 1556.14 cm-1 View
  • 26 1568.92 cm-1 View
  • 27 1584.72 cm-1 View
  • 28 1590.28 cm-1 View
  • 29 2867.80 cm-1 View
  • 30 3887.23 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy20.14kJ mol-1
Polar Solvation Energy-22.95kJ mol-1
Nonpolar Solvation Energy43.10kJ mol-1
Surface Area106.56Å2
Charge of Molecule0
Dipole3.62Debye