Cycloheptane
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 | 520.97 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 530.89 | 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 | 91.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 124.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.94 | J mol-1 K-1 |
| Rotational | 114.50 | J mol-1 K-1 |
| Vibrational | 57.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 337.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -129.04 | kJ mol-1 |
Molecular Orbitals
- 1 -300.27 eV View
- 2 -300.27 eV View
- 3 -300.26 eV View
- 4 -300.25 eV View
- 5 -300.25 eV View
- 6 -300.24 eV View
- 7 -300.24 eV View
- 8 -29.15 eV View
- 9 -26.85 eV View
- 10 -26.77 eV View
- 11 -22.80 eV View
- 12 -22.76 eV View
- 13 -19.93 eV View
- 14 -19.23 eV View
- 15 -16.82 eV View
- 16 -15.85 eV View
- 17 -15.75 eV View
- 18 -14.97 eV View
- 19 -14.15 eV View
- 20 -14.10 eV View
- 21 -13.21 eV View
- 22 -13.16 eV View
- 23 -11.56 eV View
- 24 -11.38 eV View
- 25 -11.22 eV View
- 26 -10.95 eV View
- 27 -10.67 eV View
- 28 -10.64 eV View
- 29 15.03 eV View
- 30 16.05 eV View
- 31 16.23 eV View
- 32 16.31 eV View
- 33 17.36 eV View
- 34 17.56 eV View
- 35 17.75 eV View
- 36 17.91 eV View
- 37 19.49 eV View
- 38 19.71 eV View
- 39 20.29 eV View
- 40 20.58 eV View
- 41 20.68 eV View
- 42 21.20 eV View
- 43 21.59 eV View
- 44 21.69 eV View
- 45 21.85 eV View
- 46 22.46 eV View
- 47 22.70 eV View
- 48 22.94 eV View
- 49 23.64 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 112.41 cm-1 View
- 2 183.05 cm-1 View
- 3 282.72 cm-1 View
- 4 340.43 cm-1 View
- 5 372.15 cm-1 View
- 6 404.04 cm-1 View
- 7 534.69 cm-1 View
- 8 540.34 cm-1 View
- 9 760.45 cm-1 View
- 10 815.47 cm-1 View
- 11 859.00 cm-1 View
- 12 890.78 cm-1 View
- 13 898.96 cm-1 View
- 14 917.63 cm-1 View
- 15 946.82 cm-1 View
- 16 961.30 cm-1 View
- 17 1011.06 cm-1 View
- 18 1039.09 cm-1 View
- 19 1063.72 cm-1 View
- 20 1065.96 cm-1 View
- 21 1099.74 cm-1 View
- 22 1116.73 cm-1 View
- 23 1124.02 cm-1 View
- 24 1131.48 cm-1 View
- 25 1151.15 cm-1 View
- 26 1154.66 cm-1 View
- 27 1165.04 cm-1 View
- 28 1171.34 cm-1 View
- 29 1184.18 cm-1 View
- 30 1249.14 cm-1 View
- 31 1286.88 cm-1 View
- 32 1297.88 cm-1 View
- 33 1349.40 cm-1 View
- 34 1352.97 cm-1 View
- 35 1381.17 cm-1 View
- 36 1382.69 cm-1 View
- 37 1405.62 cm-1 View
- 38 1408.90 cm-1 View
- 39 1411.12 cm-1 View
- 40 1411.19 cm-1 View
- 41 1414.42 cm-1 View
- 42 1419.49 cm-1 View
- 43 1421.31 cm-1 View
- 44 2932.85 cm-1 View
- 45 2938.67 cm-1 View
- 46 2942.20 cm-1 View
- 47 2948.97 cm-1 View
- 48 2949.86 cm-1 View
- 49 2954.35 cm-1 View
- 50 2954.91 cm-1 View
- 51 3021.92 cm-1 View
- 52 3023.46 cm-1 View
- 53 3026.80 cm-1 View
- 54 3030.37 cm-1 View
- 55 3031.72 cm-1 View
- 56 3034.81 cm-1 View
- 57 3035.13 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.90 | kJ mol-1 |
| Polar Solvation Energy | -0.68 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.56 | kJ mol-1 |
| Surface Area | 96.88 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |