Cyclohexyl acetate
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 | 568.12 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 578.04 | 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 | 134.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 167.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.56 | J mol-1 K-1 |
| Rotational | 124.69 | J mol-1 K-1 |
| Vibrational | 107.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 402.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -466.55 | kJ mol-1 |
Molecular Orbitals
- 1 -551.89 eV View
- 2 -550.68 eV View
- 3 -303.65 eV View
- 4 -302.21 eV View
- 5 -301.26 eV View
- 6 -300.74 eV View
- 7 -300.72 eV View
- 8 -300.63 eV View
- 9 -300.62 eV View
- 10 -300.60 eV View
- 11 -37.34 eV View
- 12 -34.34 eV View
- 13 -29.48 eV View
- 14 -26.69 eV View
- 15 -26.38 eV View
- 16 -26.13 eV View
- 17 -21.96 eV View
- 18 -21.72 eV View
- 19 -19.93 eV View
- 20 -19.03 eV View
- 21 -17.26 eV View
- 22 -17.12 eV View
- 23 -16.36 eV View
- 24 -15.86 eV View
- 25 -15.50 eV View
- 26 -15.22 eV View
- 27 -14.72 eV View
- 28 -14.07 eV View
- 29 -13.53 eV View
- 30 -13.44 eV View
- 31 -13.01 eV View
- 32 -12.50 eV View
- 33 -12.43 eV View
- 34 -11.83 eV View
- 35 -11.37 eV View
- 36 -10.97 eV View
- 37 -10.51 eV View
- 38 -8.84 eV View
- 39 -8.42 eV View
- 40 8.62 eV View
- 41 13.97 eV View
- 42 14.76 eV View
- 43 15.69 eV View
- 44 16.07 eV View
- 45 16.49 eV View
- 46 17.22 eV View
- 47 17.54 eV View
- 48 17.66 eV View
- 49 17.99 eV View
- 50 18.32 eV View
- 51 18.76 eV View
- 52 19.06 eV View
- 53 19.48 eV View
- 54 19.75 eV View
- 55 19.99 eV View
- 56 20.56 eV View
- 57 20.87 eV View
- 58 21.34 eV View
- 59 21.56 eV View
- 60 21.93 eV View
- 61 22.28 eV View
- 62 22.97 eV View
- 63 23.43 eV View
- 64 28.12 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 70.23 cm-1 View
- 2 102.70 cm-1 View
- 3 124.73 cm-1 View
- 4 193.37 cm-1 View
- 5 216.16 cm-1 View
- 6 268.59 cm-1 View
- 7 320.72 cm-1 View
- 8 349.43 cm-1 View
- 9 363.83 cm-1 View
- 10 450.57 cm-1 View
- 11 474.52 cm-1 View
- 12 528.96 cm-1 View
- 13 554.06 cm-1 View
- 14 568.88 cm-1 View
- 15 643.60 cm-1 View
- 16 820.63 cm-1 View
- 17 854.88 cm-1 View
- 18 919.87 cm-1 View
- 19 929.98 cm-1 View
- 20 939.70 cm-1 View
- 21 960.38 cm-1 View
- 22 965.04 cm-1 View
- 23 994.07 cm-1 View
- 24 1001.57 cm-1 View
- 25 1026.80 cm-1 View
- 26 1068.05 cm-1 View
- 27 1078.03 cm-1 View
- 28 1102.00 cm-1 View
- 29 1130.68 cm-1 View
- 30 1136.37 cm-1 View
- 31 1141.43 cm-1 View
- 32 1152.53 cm-1 View
- 33 1154.56 cm-1 View
- 34 1166.58 cm-1 View
- 35 1172.30 cm-1 View
- 36 1237.63 cm-1 View
- 37 1267.27 cm-1 View
- 38 1299.77 cm-1 View
- 39 1329.98 cm-1 View
- 40 1342.87 cm-1 View
- 41 1355.14 cm-1 View
- 42 1363.40 cm-1 View
- 43 1380.39 cm-1 View
- 44 1385.84 cm-1 View
- 45 1396.45 cm-1 View
- 46 1402.82 cm-1 View
- 47 1411.33 cm-1 View
- 48 1415.67 cm-1 View
- 49 1415.99 cm-1 View
- 50 1422.67 cm-1 View
- 51 1462.28 cm-1 View
- 52 1986.50 cm-1 View
- 53 2832.98 cm-1 View
- 54 2943.05 cm-1 View
- 55 2954.45 cm-1 View
- 56 2958.62 cm-1 View
- 57 2965.22 cm-1 View
- 58 2969.20 cm-1 View
- 59 3023.82 cm-1 View
- 60 3035.61 cm-1 View
- 61 3038.75 cm-1 View
- 62 3043.08 cm-1 View
- 63 3045.83 cm-1 View
- 64 3058.31 cm-1 View
- 65 3084.29 cm-1 View
- 66 3164.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.05 | kJ mol-1 |
| Polar Solvation Energy | -27.22 | kJ mol-1 |
| Nonpolar Solvation Energy | 27.17 | kJ mol-1 |
| Surface Area | 125.41 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.44 | Debye |