Methylcyclohexane
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 | 522.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 532.78 | 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 | 94.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 127.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.94 | J mol-1 K-1 |
| Rotational | 114.86 | J mol-1 K-1 |
| Vibrational | 59.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 340.67 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -154.12 | kJ mol-1 |
Molecular Orbitals
- 1 -300.47 eV View
- 2 -300.28 eV View
- 3 -300.27 eV View
- 4 -300.27 eV View
- 5 -300.22 eV View
- 6 -300.22 eV View
- 7 -300.09 eV View
- 8 -29.46 eV View
- 9 -26.97 eV View
- 10 -26.15 eV View
- 11 -23.83 eV View
- 12 -21.48 eV View
- 13 -20.64 eV View
- 14 -19.43 eV View
- 15 -16.57 eV View
- 16 -15.69 eV View
- 17 -15.45 eV View
- 18 -15.26 eV View
- 19 -14.45 eV View
- 20 -13.60 eV View
- 21 -13.23 eV View
- 22 -12.80 eV View
- 23 -12.24 eV View
- 24 -12.05 eV View
- 25 -11.75 eV View
- 26 -11.12 eV View
- 27 -10.30 eV View
- 28 -10.26 eV View
- 29 15.07 eV View
- 30 16.03 eV View
- 31 16.57 eV View
- 32 16.91 eV View
- 33 17.26 eV View
- 34 17.69 eV View
- 35 18.51 eV View
- 36 19.10 eV View
- 37 19.32 eV View
- 38 20.05 eV View
- 39 20.08 eV View
- 40 20.15 eV View
- 41 20.71 eV View
- 42 21.01 eV View
- 43 21.06 eV View
- 44 21.50 eV View
- 45 21.52 eV View
- 46 21.97 eV View
- 47 22.52 eV View
- 48 22.88 eV View
- 49 22.94 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 146.26 cm-1 View
- 2 191.81 cm-1 View
- 3 219.77 cm-1 View
- 4 309.13 cm-1 View
- 5 340.62 cm-1 View
- 6 426.59 cm-1 View
- 7 469.57 cm-1 View
- 8 471.88 cm-1 View
- 9 589.68 cm-1 View
- 10 819.27 cm-1 View
- 11 853.00 cm-1 View
- 12 893.74 cm-1 View
- 13 929.13 cm-1 View
- 14 945.82 cm-1 View
- 15 948.74 cm-1 View
- 16 958.45 cm-1 View
- 17 988.11 cm-1 View
- 18 1013.93 cm-1 View
- 19 1051.04 cm-1 View
- 20 1082.72 cm-1 View
- 21 1100.28 cm-1 View
- 22 1122.47 cm-1 View
- 23 1146.20 cm-1 View
- 24 1146.28 cm-1 View
- 25 1150.85 cm-1 View
- 26 1151.70 cm-1 View
- 27 1164.00 cm-1 View
- 28 1183.09 cm-1 View
- 29 1231.67 cm-1 View
- 30 1252.81 cm-1 View
- 31 1303.41 cm-1 View
- 32 1332.21 cm-1 View
- 33 1355.73 cm-1 View
- 34 1363.61 cm-1 View
- 35 1380.53 cm-1 View
- 36 1404.84 cm-1 View
- 37 1407.95 cm-1 View
- 38 1408.71 cm-1 View
- 39 1411.41 cm-1 View
- 40 1411.90 cm-1 View
- 41 1416.72 cm-1 View
- 42 1416.81 cm-1 View
- 43 1426.29 cm-1 View
- 44 2873.84 cm-1 View
- 45 2952.62 cm-1 View
- 46 2953.94 cm-1 View
- 47 2958.90 cm-1 View
- 48 2963.06 cm-1 View
- 49 2968.09 cm-1 View
- 50 3032.55 cm-1 View
- 51 3033.91 cm-1 View
- 52 3037.16 cm-1 View
- 53 3040.90 cm-1 View
- 54 3044.36 cm-1 View
- 55 3077.21 cm-1 View
- 56 3082.91 cm-1 View
- 57 3177.90 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 20.32 | kJ mol-1 |
| Polar Solvation Energy | -0.78 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.15 | kJ mol-1 |
| Surface Area | 109.38 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |