cyclohexene oxidane oxidane
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 | 528.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 538.84 | 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 | 145.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 179.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.25 | J mol-1 K-1 |
| Rotational | 123.67 | J mol-1 K-1 |
| Vibrational | 164.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 456.25 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -489.13 | kJ mol-1 |
Molecular Orbitals
- 1 -551.44 eV View
- 2 -549.04 eV View
- 3 -300.83 eV View
- 4 -300.78 eV View
- 5 -300.66 eV View
- 6 -300.65 eV View
- 7 -300.04 eV View
- 8 -299.96 eV View
- 9 -35.23 eV View
- 10 -33.26 eV View
- 11 -29.64 eV View
- 12 -26.46 eV View
- 13 -26.41 eV View
- 14 -22.09 eV View
- 15 -21.40 eV View
- 16 -18.19 eV View
- 17 -17.79 eV View
- 18 -17.46 eV View
- 19 -16.17 eV View
- 20 -15.96 eV View
- 21 -15.28 eV View
- 22 -14.46 eV View
- 23 -13.87 eV View
- 24 -13.75 eV View
- 25 -13.53 eV View
- 26 -12.94 eV View
- 27 -11.83 eV View
- 28 -11.74 eV View
- 29 -11.29 eV View
- 30 -10.92 eV View
- 31 -10.34 eV View
- 32 -9.41 eV View
- 33 -8.17 eV View
- 34 8.29 eV View
- 35 15.29 eV View
- 36 15.75 eV View
- 37 16.07 eV View
- 38 16.38 eV View
- 39 16.48 eV View
- 40 18.03 eV View
- 41 18.52 eV View
- 42 18.77 eV View
- 43 18.84 eV View
- 44 19.42 eV View
- 45 20.02 eV View
- 46 20.18 eV View
- 47 20.74 eV View
- 48 20.98 eV View
- 49 21.05 eV View
- 50 21.58 eV View
- 51 22.29 eV View
- 52 22.65 eV View
- 53 25.80 eV View
- 54 28.40 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.40 | kJ mol-1 |
| Polar Solvation Energy | -23.40 | kJ mol-1 |
| Nonpolar Solvation Energy | 28.76 | kJ mol-1 |
| Surface Area | 122.39 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.68 | Debye |