(1s)-cyclohex-2-en-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 | 399.03 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 408.94 | 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 | 83.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 117.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.94 | J mol-1 K-1 |
| Rotational | 113.68 | J mol-1 K-1 |
| Vibrational | 58.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 337.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -182.49 | kJ mol-1 |
Molecular Orbitals
- 1 -550.75 eV View
- 2 -301.81 eV View
- 3 -300.64 eV View
- 4 -300.43 eV View
- 5 -300.41 eV View
- 6 -300.04 eV View
- 7 -299.70 eV View
- 8 -35.04 eV View
- 9 -29.13 eV View
- 10 -26.24 eV View
- 11 -25.70 eV View
- 12 -21.66 eV View
- 13 -21.15 eV View
- 14 -18.17 eV View
- 15 -17.36 eV View
- 16 -16.24 eV View
- 17 -15.58 eV View
- 18 -14.86 eV View
- 19 -13.95 eV View
- 20 -13.85 eV View
- 21 -13.44 eV View
- 22 -12.14 eV View
- 23 -11.67 eV View
- 24 -11.44 eV View
- 25 -10.34 eV View
- 26 -9.22 eV View
- 27 -8.12 eV View
- 28 8.32 eV View
- 29 15.66 eV View
- 30 15.79 eV View
- 31 16.47 eV View
- 32 16.64 eV View
- 33 17.69 eV View
- 34 18.41 eV View
- 35 18.47 eV View
- 36 19.14 eV View
- 37 20.12 eV View
- 38 20.26 eV View
- 39 20.52 eV View
- 40 21.15 eV View
- 41 21.31 eV View
- 42 21.69 eV View
- 43 22.55 eV View
- 44 25.83 eV View
- 45 28.54 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
|
| Balls |
|
- 1 88.13 cm-1 View
- 2 205.22 cm-1 View
- 3 225.90 cm-1 View
- 4 284.00 cm-1 View
- 5 408.60 cm-1 View
- 6 482.91 cm-1 View
- 7 493.93 cm-1 View
- 8 582.05 cm-1 View
- 9 739.60 cm-1 View
- 10 769.25 cm-1 View
- 11 871.38 cm-1 View
- 12 924.44 cm-1 View
- 13 938.48 cm-1 View
- 14 961.86 cm-1 View
- 15 969.94 cm-1 View
- 16 998.05 cm-1 View
- 17 1023.05 cm-1 View
- 18 1053.89 cm-1 View
- 19 1081.92 cm-1 View
- 20 1098.32 cm-1 View
- 21 1108.00 cm-1 View
- 22 1128.53 cm-1 View
- 23 1148.13 cm-1 View
- 24 1177.68 cm-1 View
- 25 1218.75 cm-1 View
- 26 1259.99 cm-1 View
- 27 1288.57 cm-1 View
- 28 1334.81 cm-1 View
- 29 1353.53 cm-1 View
- 30 1388.92 cm-1 View
- 31 1399.97 cm-1 View
- 32 1406.98 cm-1 View
- 33 1417.25 cm-1 View
- 34 1452.16 cm-1 View
- 35 1881.11 cm-1 View
- 36 2822.87 cm-1 View
- 37 2945.70 cm-1 View
- 38 2960.09 cm-1 View
- 39 2968.47 cm-1 View
- 40 3026.48 cm-1 View
- 41 3037.36 cm-1 View
- 42 3040.29 cm-1 View
- 43 3044.72 cm-1 View
- 44 3060.47 cm-1 View
- 45 3898.41 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.72 | kJ mol-1 |
| Polar Solvation Energy | -11.28 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.97 | kJ mol-1 |
| Surface Area | 103.01 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.76 | Debye |