Cyclohexanone
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 399.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 409.66 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 78.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.94 | J mol-1 K-1 |
| Rotational | 113.96 | J mol-1 K-1 |
| Vibrational | 51.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -251.45 | kJ mol-1 |
Molecular Orbitals
- 1 -551.43 eV View
- 2 -302.33 eV View
- 3 -300.72 eV View
- 4 -300.72 eV View
- 5 -300.68 eV View
- 6 -300.68 eV View
- 7 -300.65 eV View
- 8 -35.90 eV View
- 9 -29.32 eV View
- 10 -26.68 eV View
- 11 -25.48 eV View
- 12 -22.05 eV View
- 13 -20.83 eV View
- 14 -18.60 eV View
- 15 -16.61 eV View
- 16 -16.11 eV View
- 17 -15.52 eV View
- 18 -15.10 eV View
- 19 -14.75 eV View
- 20 -13.70 eV View
- 21 -13.61 eV View
- 22 -12.62 eV View
- 23 -12.13 eV View
- 24 -11.54 eV View
- 25 -11.36 eV View
- 26 -10.39 eV View
- 27 -8.45 eV View
- 28 8.16 eV View
- 29 15.40 eV View
- 30 16.27 eV View
- 31 16.48 eV View
- 32 17.06 eV View
- 33 17.37 eV View
- 34 17.51 eV View
- 35 18.79 eV View
- 36 19.70 eV View
- 37 19.72 eV View
- 38 20.43 eV View
- 39 20.74 eV View
- 40 20.95 eV View
- 41 21.26 eV View
- 42 21.27 eV View
- 43 21.95 eV View
- 44 22.68 eV View
- 45 27.87 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 105.96 cm-1 View
- 2 180.86 cm-1 View
- 3 291.53 cm-1 View
- 4 398.99 cm-1 View
- 5 449.22 cm-1 View
- 6 501.15 cm-1 View
- 7 511.79 cm-1 View
- 8 685.83 cm-1 View
- 9 804.71 cm-1 View
- 10 847.17 cm-1 View
- 11 891.09 cm-1 View
- 12 919.15 cm-1 View
- 13 937.92 cm-1 View
- 14 958.07 cm-1 View
- 15 997.54 cm-1 View
- 16 1026.61 cm-1 View
- 17 1065.39 cm-1 View
- 18 1091.52 cm-1 View
- 19 1105.99 cm-1 View
- 20 1129.51 cm-1 View
- 21 1146.09 cm-1 View
- 22 1148.93 cm-1 View
- 23 1156.24 cm-1 View
- 24 1232.02 cm-1 View
- 25 1294.56 cm-1 View
- 26 1307.76 cm-1 View
- 27 1346.10 cm-1 View
- 28 1354.35 cm-1 View
- 29 1360.69 cm-1 View
- 30 1392.85 cm-1 View
- 31 1399.03 cm-1 View
- 32 1409.34 cm-1 View
- 33 1413.49 cm-1 View
- 34 1415.51 cm-1 View
- 35 1983.14 cm-1 View
- 36 2954.80 cm-1 View
- 37 2957.09 cm-1 View
- 38 2962.65 cm-1 View
- 39 2966.04 cm-1 View
- 40 2969.65 cm-1 View
- 41 3035.71 cm-1 View
- 42 3037.26 cm-1 View
- 43 3040.62 cm-1 View
- 44 3043.25 cm-1 View
- 45 3046.14 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.83 | kJ mol-1 |
| Polar Solvation Energy | -15.31 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.14 | kJ mol-1 |
| Surface Area | 105.87 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.53 | Debye |