Dioxiran-3-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 | 38.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 48.57 | 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 | 15.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 49.00 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.81 | J mol-1 K-1 |
| Rotational | 96.16 | J mol-1 K-1 |
| Vibrational | 7.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 263.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -142.17 | kJ mol-1 |
Molecular Orbitals
- 1 -555.26 eV View
- 2 -555.25 eV View
- 3 -553.46 eV View
- 4 -307.35 eV View
- 5 -41.16 eV View
- 6 -37.45 eV View
- 7 -33.14 eV View
- 8 -20.21 eV View
- 9 -18.09 eV View
- 10 -17.15 eV View
- 11 -16.43 eV View
- 12 -12.43 eV View
- 13 -12.03 eV View
- 14 -11.47 eV View
- 15 -10.84 eV View
- 16 4.98 eV View
- 17 7.52 eV View
- 18 14.96 eV View
- 19 15.18 eV View
- 20 28.92 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -5.15 | kJ mol-1 |
| Polar Solvation Energy | -10.12 | kJ mol-1 |
| Nonpolar Solvation Energy | 4.97 | kJ mol-1 |
| Surface Area | 67.51 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.81 | Debye |