(5r)-5-prop-1-en-2-ylcyclohex-2-en-1-one
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 | 507.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 517.69 | 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 | 130.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 163.58 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 124.17 | J mol-1 K-1 |
| Vibrational | 110.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 404.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -85.44 | kJ mol-1 |
Molecular Orbitals
- 1 -551.37 eV View
- 2 -302.41 eV View
- 3 -301.11 eV View
- 4 -300.92 eV View
- 5 -300.72 eV View
- 6 -300.55 eV View
- 7 -300.52 eV View
- 8 -300.26 eV View
- 9 -299.94 eV View
- 10 -299.33 eV View
- 11 -35.86 eV View
- 12 -29.90 eV View
- 13 -28.07 eV View
- 14 -26.21 eV View
- 15 -25.46 eV View
- 16 -24.05 eV View
- 17 -22.02 eV View
- 18 -20.72 eV View
- 19 -18.43 eV View
- 20 -17.99 eV View
- 21 -17.16 eV View
- 22 -16.00 eV View
- 23 -15.71 eV View
- 24 -15.26 eV View
- 25 -14.90 eV View
- 26 -14.68 eV View
- 27 -14.18 eV View
- 28 -13.91 eV View
- 29 -13.27 eV View
- 30 -13.18 eV View
- 31 -12.63 eV View
- 32 -11.71 eV View
- 33 -11.34 eV View
- 34 -11.09 eV View
- 35 -8.59 eV View
- 36 -8.14 eV View
- 37 -8.02 eV View
- 38 6.31 eV View
- 39 8.52 eV View
- 40 10.69 eV View
- 41 15.22 eV View
- 42 15.80 eV View
- 43 16.33 eV View
- 44 16.78 eV View
- 45 17.13 eV View
- 46 17.67 eV View
- 47 18.40 eV View
- 48 18.91 eV View
- 49 19.05 eV View
- 50 19.10 eV View
- 51 19.68 eV View
- 52 19.94 eV View
- 53 20.22 eV View
- 54 20.53 eV View
- 55 20.98 eV View
- 56 21.63 eV View
- 57 22.52 eV View
- 58 24.47 eV View
- 59 26.16 eV View
- 60 26.40 eV View
- 61 28.43 eV View
- 62 29.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 34.14 cm-1 View
- 2 86.20 cm-1 View
- 3 128.46 cm-1 View
- 4 183.52 cm-1 View
- 5 227.88 cm-1 View
- 6 320.78 cm-1 View
- 7 346.25 cm-1 View
- 8 385.23 cm-1 View
- 9 408.91 cm-1 View
- 10 476.60 cm-1 View
- 11 489.13 cm-1 View
- 12 531.84 cm-1 View
- 13 577.20 cm-1 View
- 14 604.44 cm-1 View
- 15 653.11 cm-1 View
- 16 715.11 cm-1 View
- 17 775.34 cm-1 View
- 18 903.12 cm-1 View
- 19 925.20 cm-1 View
- 20 932.91 cm-1 View
- 21 945.73 cm-1 View
- 22 968.31 cm-1 View
- 23 980.73 cm-1 View
- 24 994.58 cm-1 View
- 25 1008.43 cm-1 View
- 26 1046.83 cm-1 View
- 27 1049.96 cm-1 View
- 28 1058.24 cm-1 View
- 29 1087.95 cm-1 View
- 30 1111.46 cm-1 View
- 31 1135.68 cm-1 View
- 32 1158.50 cm-1 View
- 33 1168.84 cm-1 View
- 34 1239.40 cm-1 View
- 35 1278.17 cm-1 View
- 36 1320.67 cm-1 View
- 37 1341.04 cm-1 View
- 38 1351.35 cm-1 View
- 39 1371.89 cm-1 View
- 40 1384.64 cm-1 View
- 41 1387.97 cm-1 View
- 42 1400.60 cm-1 View
- 43 1408.36 cm-1 View
- 44 1429.94 cm-1 View
- 45 1466.70 cm-1 View
- 46 1862.55 cm-1 View
- 47 1867.54 cm-1 View
- 48 1969.47 cm-1 View
- 49 2855.88 cm-1 View
- 50 2922.02 cm-1 View
- 51 2952.83 cm-1 View
- 52 3005.74 cm-1 View
- 53 3029.01 cm-1 View
- 54 3044.01 cm-1 View
- 55 3063.94 cm-1 View
- 56 3065.15 cm-1 View
- 57 3070.78 cm-1 View
- 58 3092.59 cm-1 View
- 59 3143.31 cm-1 View
- 60 3165.10 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 10.19 | kJ mol-1 |
| Polar Solvation Energy | -17.54 | kJ mol-1 |
| Nonpolar Solvation Energy | 27.71 | kJ mol-1 |
| Surface Area | 124.99 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.10 | Debye |