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 | 35.16 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 45.08 | 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 | 44.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 77.55 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.28 | J mol-1 K-1 |
| Rotational | 109.16 | J mol-1 K-1 |
| Vibrational | 30.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 309.53 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 458.13 | kJ mol-1 |
Molecular Orbitals
- 1 -11622.32 eV View
- 2 -1472.77 eV View
- 3 -1324.92 eV View
- 4 -1324.92 eV View
- 5 -1324.92 eV View
- 6 -518.89 eV View
- 7 -518.88 eV View
- 8 -518.88 eV View
- 9 -518.88 eV View
- 10 -179.68 eV View
- 11 -122.58 eV View
- 12 -122.58 eV View
- 13 -122.58 eV View
- 14 -11.34 eV View
- 15 -11.34 eV View
- 16 -11.34 eV View
- 17 -11.02 eV View
- 18 -11.02 eV View
- 19 -9.48 eV View
- 20 -6.92 eV View
- 21 -6.92 eV View
- 22 -6.92 eV View
- 23 6.64 eV View
- 24 10.82 eV View
- 25 10.82 eV View
- 26 10.82 eV View
- 27 14.73 eV View
- 28 14.73 eV View
- 29 15.13 eV View
- 30 15.13 eV View
- 31 15.13 eV View
- 32 16.35 eV View
- 33 16.35 eV View
- 34 16.35 eV View
- 35 36.34 eV View
- 36 37.70 eV View
- 37 37.71 eV View
- 38 37.71 eV View
- 39 2368.52 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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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 | 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 | -3 | |
| Dipole | 0.00 | Debye |