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 | 287.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 297.12 | 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 | 116.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 149.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 112.70 | J mol-1 K-1 |
| Vibrational | 140.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 415.77 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -931.66 | kJ mol-1 |
Molecular Orbitals
- 1 -552.32 eV View
- 2 -550.18 eV View
- 3 -549.49 eV View
- 4 -549.07 eV View
- 5 -36.33 eV View
- 6 -34.20 eV View
- 7 -33.65 eV View
- 8 -33.33 eV View
- 9 -18.80 eV View
- 10 -17.08 eV View
- 11 -16.36 eV View
- 12 -16.14 eV View
- 13 -15.04 eV View
- 14 -12.36 eV View
- 15 -11.77 eV View
- 16 -11.07 eV View
- 17 -10.59 eV View
- 18 -9.95 eV View
- 19 -9.81 eV View
- 20 -9.55 eV View
- 21 14.21 eV View
- 22 17.20 eV View
- 23 18.14 eV View
- 24 18.82 eV View
- 25 19.24 eV View
- 26 20.97 eV View
- 27 22.05 eV View
- 28 22.78 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 20.11 cm-1 View
- 2 48.20 cm-1 View
- 3 110.14 cm-1 View
- 4 145.89 cm-1 View
- 5 196.29 cm-1 View
- 6 214.26 cm-1 View
- 7 226.60 cm-1 View
- 8 249.62 cm-1 View
- 9 287.45 cm-1 View
- 10 309.79 cm-1 View
- 11 328.64 cm-1 View
- 12 370.95 cm-1 View
- 13 415.81 cm-1 View
- 14 446.00 cm-1 View
- 15 497.69 cm-1 View
- 16 608.21 cm-1 View
- 17 752.12 cm-1 View
- 18 975.09 cm-1 View
- 19 1720.27 cm-1 View
- 20 1725.11 cm-1 View
- 21 1773.32 cm-1 View
- 22 1998.87 cm-1 View
- 23 3797.32 cm-1 View
- 24 3805.41 cm-1 View
- 25 3833.47 cm-1 View
- 26 3842.89 cm-1 View
- 27 3943.09 cm-1 View
- 28 3957.22 cm-1 View
- 29 3973.25 cm-1 View
- 30 3989.42 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -19.88 | kJ mol-1 |
| Polar Solvation Energy | -35.23 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.34 | kJ mol-1 |
| Surface Area | 92.98 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.30 | Debye |