Oxetane
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 | 225.89 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 235.81 | 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 | 29.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 63.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 97.73 | J mol-1 K-1 |
| Vibrational | 13.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 270.43 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -111.63 | kJ mol-1 |
Molecular Orbitals
- 1 -550.97 eV View
- 2 -301.66 eV View
- 3 -301.66 eV View
- 4 -300.88 eV View
- 5 -35.50 eV View
- 6 -26.17 eV View
- 7 -24.14 eV View
- 8 -19.95 eV View
- 9 -17.47 eV View
- 10 -16.57 eV View
- 11 -14.34 eV View
- 12 -13.92 eV View
- 13 -13.33 eV View
- 14 -11.63 eV View
- 15 -9.95 eV View
- 16 -8.87 eV View
- 17 13.29 eV View
- 18 15.58 eV View
- 19 15.62 eV View
- 20 17.45 eV View
- 21 18.09 eV View
- 22 19.22 eV View
- 23 19.74 eV View
- 24 19.86 eV View
- 25 22.64 eV View
- 26 22.89 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 238.89 cm-1 View
- 2 818.51 cm-1 View
- 3 839.05 cm-1 View
- 4 865.45 cm-1 View
- 5 951.71 cm-1 View
- 6 957.84 cm-1 View
- 7 966.91 cm-1 View
- 8 999.41 cm-1 View
- 9 1013.74 cm-1 View
- 10 1063.67 cm-1 View
- 11 1115.29 cm-1 View
- 12 1193.26 cm-1 View
- 13 1208.41 cm-1 View
- 14 1262.38 cm-1 View
- 15 1316.12 cm-1 View
- 16 1375.55 cm-1 View
- 17 1396.76 cm-1 View
- 18 1440.16 cm-1 View
- 19 3005.45 cm-1 View
- 20 3006.31 cm-1 View
- 21 3048.26 cm-1 View
- 22 3051.81 cm-1 View
- 23 3055.65 cm-1 View
- 24 3120.58 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.28 | kJ mol-1 |
| Polar Solvation Energy | -9.30 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.57 | kJ mol-1 |
| Surface Area | 71.22 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.03 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]