Hexan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational456.94kJ mol-1
Total (Trans. + Rot. + Vib.)466.85kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational105.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)138.83J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.19J mol-1 K-1
Rotational117.82J mol-1 K-1
Vibrational112.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)396.67J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-285.49kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 38.65 cm-1 View
  • 2 79.00 cm-1 View
  • 3 97.06 cm-1 View
  • 4 110.06 cm-1 View
  • 5 142.18 cm-1 View
  • 6 197.03 cm-1 View
  • 7 322.63 cm-1 View
  • 8 336.39 cm-1 View
  • 9 485.58 cm-1 View
  • 10 513.48 cm-1 View
  • 11 595.19 cm-1 View
  • 12 762.51 cm-1 View
  • 13 822.18 cm-1 View
  • 14 913.41 cm-1 View
  • 15 932.75 cm-1 View
  • 16 958.46 cm-1 View
  • 17 975.86 cm-1 View
  • 18 997.35 cm-1 View
  • 19 1071.12 cm-1 View
  • 20 1110.97 cm-1 View
  • 21 1123.33 cm-1 View
  • 22 1133.86 cm-1 View
  • 23 1144.01 cm-1 View
  • 24 1155.49 cm-1 View
  • 25 1157.53 cm-1 View
  • 26 1188.28 cm-1 View
  • 27 1248.46 cm-1 View
  • 28 1341.13 cm-1 View
  • 29 1371.28 cm-1 View
  • 30 1378.51 cm-1 View
  • 31 1388.17 cm-1 View
  • 32 1396.54 cm-1 View
  • 33 1402.07 cm-1 View
  • 34 1408.00 cm-1 View
  • 35 1410.95 cm-1 View
  • 36 1413.46 cm-1 View
  • 37 1422.83 cm-1 View
  • 38 1435.59 cm-1 View
  • 39 1977.37 cm-1 View
  • 40 2940.75 cm-1 View
  • 41 2950.09 cm-1 View
  • 42 2962.02 cm-1 View
  • 43 3024.45 cm-1 View
  • 44 3032.47 cm-1 View
  • 45 3038.01 cm-1 View
  • 46 3079.64 cm-1 View
  • 47 3083.37 cm-1 View
  • 48 3085.07 cm-1 View
  • 49 3089.80 cm-1 View
  • 50 3181.18 cm-1 View
  • 51 3181.88 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy6.79kJ mol-1
Polar Solvation Energy-15.52kJ mol-1
Nonpolar Solvation Energy22.32kJ mol-1
Surface Area115.78Å2
Charge of Molecule0
Dipole3.45Debye