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 | 70.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 80.61 | 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 | 49.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.17 | J mol-1 K-1 |
| Rotational | 105.82 | J mol-1 K-1 |
| Vibrational | 35.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -110.34 | kJ mol-1 |
Molecular Orbitals
- 1 -2838.61 eV View
- 2 -552.57 eV View
- 3 -549.63 eV View
- 4 -549.63 eV View
- 5 -549.31 eV View
- 6 -298.03 eV View
- 7 -228.43 eV View
- 8 -228.42 eV View
- 9 -228.34 eV View
- 10 -44.40 eV View
- 11 -36.95 eV View
- 12 -36.67 eV View
- 13 -36.65 eV View
- 14 -25.04 eV View
- 15 -21.04 eV View
- 16 -18.66 eV View
- 17 -18.57 eV View
- 18 -15.08 eV View
- 19 -13.05 eV View
- 20 -10.86 eV View
- 21 -10.57 eV View
- 22 -10.50 eV View
- 23 -9.93 eV View
- 24 -9.92 eV View
- 25 -9.82 eV View
- 26 5.34 eV View
- 27 11.66 eV View
- 28 13.28 eV View
- 29 13.43 eV View
- 30 17.39 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |