Cyclohexane
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 | 445.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 455.70 | 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 | 70.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 104.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.02 | J mol-1 K-1 |
| Rotational | 110.12 | J mol-1 K-1 |
| Vibrational | 38.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 312.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -129.68 | kJ mol-1 |
Molecular Orbitals
- 1 -300.29 eV View
- 2 -300.29 eV View
- 3 -300.29 eV View
- 4 -300.28 eV View
- 5 -300.28 eV View
- 6 -300.28 eV View
- 7 -29.29 eV View
- 8 -26.15 eV View
- 9 -26.15 eV View
- 10 -21.42 eV View
- 11 -21.42 eV View
- 12 -19.41 eV View
- 13 -16.79 eV View
- 14 -15.47 eV View
- 15 -15.33 eV View
- 16 -15.33 eV View
- 17 -13.26 eV View
- 18 -13.26 eV View
- 19 -12.95 eV View
- 20 -12.11 eV View
- 21 -12.11 eV View
- 22 -11.15 eV View
- 23 -10.42 eV View
- 24 -10.42 eV View
- 25 15.28 eV View
- 26 16.53 eV View
- 27 16.53 eV View
- 28 16.85 eV View
- 29 17.84 eV View
- 30 17.84 eV View
- 31 19.15 eV View
- 32 19.15 eV View
- 33 20.07 eV View
- 34 20.07 eV View
- 35 20.61 eV View
- 36 20.94 eV View
- 37 21.50 eV View
- 38 21.50 eV View
- 39 21.89 eV View
- 40 22.27 eV View
- 41 22.74 eV View
- 42 22.74 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 215.61 cm-1 View
- 2 215.75 cm-1 View
- 3 344.03 cm-1 View
- 4 456.76 cm-1 View
- 5 456.81 cm-1 View
- 6 576.75 cm-1 View
- 7 820.78 cm-1 View
- 8 820.88 cm-1 View
- 9 923.44 cm-1 View
- 10 927.75 cm-1 View
- 11 927.80 cm-1 View
- 12 955.47 cm-1 View
- 13 955.50 cm-1 View
- 14 973.06 cm-1 View
- 15 1039.17 cm-1 View
- 16 1075.85 cm-1 View
- 17 1100.33 cm-1 View
- 18 1100.34 cm-1 View
- 19 1140.27 cm-1 View
- 20 1146.02 cm-1 View
- 21 1146.02 cm-1 View
- 22 1163.53 cm-1 View
- 23 1163.53 cm-1 View
- 24 1165.98 cm-1 View
- 25 1256.35 cm-1 View
- 26 1313.81 cm-1 View
- 27 1313.82 cm-1 View
- 28 1360.20 cm-1 View
- 29 1360.21 cm-1 View
- 30 1363.65 cm-1 View
- 31 1402.28 cm-1 View
- 32 1414.98 cm-1 View
- 33 1415.00 cm-1 View
- 34 1415.89 cm-1 View
- 35 1415.95 cm-1 View
- 36 1416.40 cm-1 View
- 37 2952.41 cm-1 View
- 38 2956.43 cm-1 View
- 39 2956.49 cm-1 View
- 40 2965.18 cm-1 View
- 41 2965.24 cm-1 View
- 42 2970.22 cm-1 View
- 43 3033.15 cm-1 View
- 44 3036.63 cm-1 View
- 45 3036.80 cm-1 View
- 46 3042.49 cm-1 View
- 47 3042.67 cm-1 View
- 48 3045.80 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 18.44 | kJ mol-1 |
| Polar Solvation Energy | -0.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.02 | kJ mol-1 |
| Surface Area | 91.68 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |