(3s)-3-hydroxybutan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational319.90kJ mol-1
Total (Trans. + Rot. + Vib.)329.81kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational80.84J mol-1 K-1
Total (Trans. + Rot. + Vib.)114.10J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.59J mol-1 K-1
Rotational111.74J mol-1 K-1
Vibrational69.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)345.74J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-409.03kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 64.99 cm-1 View
  • 2 169.65 cm-1 View
  • 3 175.61 cm-1 View
  • 4 256.24 cm-1 View
  • 5 297.00 cm-1 View
  • 6 381.91 cm-1 View
  • 7 417.86 cm-1 View
  • 8 526.25 cm-1 View
  • 9 574.39 cm-1 View
  • 10 622.66 cm-1 View
  • 11 826.44 cm-1 View
  • 12 965.93 cm-1 View
  • 13 986.08 cm-1 View
  • 14 994.00 cm-1 View
  • 15 1029.64 cm-1 View
  • 16 1080.13 cm-1 View
  • 17 1108.90 cm-1 View
  • 18 1221.42 cm-1 View
  • 19 1268.21 cm-1 View
  • 20 1338.38 cm-1 View
  • 21 1376.81 cm-1 View
  • 22 1380.72 cm-1 View
  • 23 1399.49 cm-1 View
  • 24 1401.53 cm-1 View
  • 25 1402.32 cm-1 View
  • 26 1409.18 cm-1 View
  • 27 1412.97 cm-1 View
  • 28 1979.59 cm-1 View
  • 29 2916.21 cm-1 View
  • 30 3075.24 cm-1 View
  • 31 3078.17 cm-1 View
  • 32 3083.70 cm-1 View
  • 33 3092.04 cm-1 View
  • 34 3174.46 cm-1 View
  • 35 3181.62 cm-1 View
  • 36 3869.57 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.38kJ mol-1
Polar Solvation Energy-21.60kJ mol-1
Nonpolar Solvation Energy12.25kJ mol-1
Surface Area101.26Å2
Charge of Molecule0
Dipole3.57Debye