(1r,2s)-2-methylcyclohexan-1-ol
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 | 538.08 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 548.00 | 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 | 111.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.15 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.83 | J mol-1 K-1 |
| Rotational | 117.83 | J mol-1 K-1 |
| Vibrational | 76.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 362.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -324.55 | kJ mol-1 |
Molecular Orbitals
- 1 -550.81 eV View
- 2 -301.66 eV View
- 3 -300.63 eV View
- 4 -300.55 eV View
- 5 -300.52 eV View
- 6 -300.51 eV View
- 7 -300.40 eV View
- 8 -300.17 eV View
- 9 -35.18 eV View
- 10 -29.33 eV View
- 11 -27.17 eV View
- 12 -26.02 eV View
- 13 -23.88 eV View
- 14 -21.68 eV View
- 15 -20.90 eV View
- 16 -19.28 eV View
- 17 -17.32 eV View
- 18 -16.12 eV View
- 19 -15.96 eV View
- 20 -15.39 eV View
- 21 -14.72 eV View
- 22 -14.54 eV View
- 23 -13.78 eV View
- 24 -13.17 eV View
- 25 -13.02 eV View
- 26 -12.75 eV View
- 27 -12.13 eV View
- 28 -11.61 eV View
- 29 -11.20 eV View
- 30 -11.09 eV View
- 31 -10.13 eV View
- 32 -8.98 eV View
- 33 14.52 eV View
- 34 15.60 eV View
- 35 15.97 eV View
- 36 16.27 eV View
- 37 16.90 eV View
- 38 16.99 eV View
- 39 17.90 eV View
- 40 18.38 eV View
- 41 18.62 eV View
- 42 19.16 eV View
- 43 19.62 eV View
- 44 20.04 eV View
- 45 20.30 eV View
- 46 20.54 eV View
- 47 20.80 eV View
- 48 21.00 eV View
- 49 21.32 eV View
- 50 21.76 eV View
- 51 22.11 eV View
- 52 22.35 eV View
- 53 22.43 eV View
- 54 22.80 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 119.69 cm-1 View
- 2 181.24 cm-1 View
- 3 194.37 cm-1 View
- 4 271.82 cm-1 View
- 5 294.81 cm-1 View
- 6 328.77 cm-1 View
- 7 351.09 cm-1 View
- 8 396.54 cm-1 View
- 9 434.99 cm-1 View
- 10 512.32 cm-1 View
- 11 589.66 cm-1 View
- 12 669.68 cm-1 View
- 13 828.66 cm-1 View
- 14 847.48 cm-1 View
- 15 902.85 cm-1 View
- 16 927.13 cm-1 View
- 17 938.94 cm-1 View
- 18 949.46 cm-1 View
- 19 988.34 cm-1 View
- 20 1011.81 cm-1 View
- 21 1040.11 cm-1 View
- 22 1065.14 cm-1 View
- 23 1092.00 cm-1 View
- 24 1096.87 cm-1 View
- 25 1104.44 cm-1 View
- 26 1131.32 cm-1 View
- 27 1151.50 cm-1 View
- 28 1155.98 cm-1 View
- 29 1156.25 cm-1 View
- 30 1165.28 cm-1 View
- 31 1208.76 cm-1 View
- 32 1243.44 cm-1 View
- 33 1292.69 cm-1 View
- 34 1308.23 cm-1 View
- 35 1329.15 cm-1 View
- 36 1336.91 cm-1 View
- 37 1358.32 cm-1 View
- 38 1375.94 cm-1 View
- 39 1389.66 cm-1 View
- 40 1404.24 cm-1 View
- 41 1406.03 cm-1 View
- 42 1410.29 cm-1 View
- 43 1411.59 cm-1 View
- 44 1414.25 cm-1 View
- 45 1420.71 cm-1 View
- 46 1422.82 cm-1 View
- 47 2869.30 cm-1 View
- 48 2911.87 cm-1 View
- 49 2947.69 cm-1 View
- 50 2951.53 cm-1 View
- 51 2962.73 cm-1 View
- 52 2967.77 cm-1 View
- 53 3032.22 cm-1 View
- 54 3036.15 cm-1 View
- 55 3041.02 cm-1 View
- 56 3044.47 cm-1 View
- 57 3077.74 cm-1 View
- 58 3083.10 cm-1 View
- 59 3177.67 cm-1 View
- 60 3868.29 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 12.36 | kJ mol-1 |
| Polar Solvation Energy | -9.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.53 | kJ mol-1 |
| Surface Area | 111.95 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.87 | Debye |