oxidane oxidane 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 | 279.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 289.91 | 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 | 131.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 164.45 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 114.21 | J mol-1 K-1 |
| Vibrational | 177.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 453.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -939.12 | kJ mol-1 |
Molecular Orbitals
- 1 -551.12 eV View
- 2 -550.63 eV View
- 3 -550.44 eV View
- 4 -549.29 eV View
- 5 -34.93 eV View
- 6 -34.58 eV View
- 7 -34.37 eV View
- 8 -33.58 eV View
- 9 -17.37 eV View
- 10 -17.19 eV View
- 11 -16.85 eV View
- 12 -16.54 eV View
- 13 -12.98 eV View
- 14 -12.34 eV View
- 15 -12.15 eV View
- 16 -11.61 eV View
- 17 -10.72 eV View
- 18 -10.52 eV View
- 19 -10.45 eV View
- 20 -9.77 eV View
- 21 15.20 eV View
- 22 16.93 eV View
- 23 17.10 eV View
- 24 18.45 eV View
- 25 20.24 eV View
- 26 20.76 eV View
- 27 20.90 eV View
- 28 22.38 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 29.49 cm-1 View
- 2 38.42 cm-1 View
- 3 103.44 cm-1 View
- 4 115.93 cm-1 View
- 5 126.57 cm-1 View
- 6 129.77 cm-1 View
- 7 150.15 cm-1 View
- 8 152.61 cm-1 View
- 9 206.74 cm-1 View
- 10 234.20 cm-1 View
- 11 243.98 cm-1 View
- 12 260.82 cm-1 View
- 13 272.77 cm-1 View
- 14 333.92 cm-1 View
- 15 364.03 cm-1 View
- 16 393.56 cm-1 View
- 17 524.69 cm-1 View
- 18 597.75 cm-1 View
- 19 1724.57 cm-1 View
- 20 1734.08 cm-1 View
- 21 1753.44 cm-1 View
- 22 1754.29 cm-1 View
- 23 3836.12 cm-1 View
- 24 3841.50 cm-1 View
- 25 3849.59 cm-1 View
- 26 3853.54 cm-1 View
- 27 3967.81 cm-1 View
- 28 3977.98 cm-1 View
- 29 3982.41 cm-1 View
- 30 3992.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.70 | kJ mol-1 |
| Polar Solvation Energy | -24.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.27 | kJ mol-1 |
| Surface Area | 94.01 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.10 | Debye |