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 | 163.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 173.75 | 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 | 18.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 51.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 152.37 | J mol-1 K-1 |
| Rotational | 81.37 | J mol-1 K-1 |
| Vibrational | 10.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 244.46 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 654.44 | kJ mol-1 |
Molecular Orbitals
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 226.39 cm-1 View
- 2 851.27 cm-1 View
- 3 864.58 cm-1 View
- 4 934.97 cm-1 View
- 5 1118.54 cm-1 View
- 6 1135.06 cm-1 View
- 7 1268.91 cm-1 View
- 8 1285.98 cm-1 View
- 9 1303.73 cm-1 View
- 10 1611.12 cm-1 View
- 11 3042.89 cm-1 View
- 12 3043.06 cm-1 View
- 13 3054.95 cm-1 View
- 14 3570.71 cm-1 View
- 15 3737.88 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -276.82 | kJ mol-1 |
| Polar Solvation Energy | -282.89 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.06 | kJ mol-1 |
| Surface Area | 57.61 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 2.46 | Debye |