methanol 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 | 206.55 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.47 | 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 | 60.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 93.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 102.89 | J mol-1 K-1 |
| Vibrational | 85.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 346.32 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -446.38 | kJ mol-1 |
Molecular Orbitals
- 1 -551.01 eV View
- 2 -550.63 eV View
- 3 -301.39 eV View
- 4 -34.90 eV View
- 5 -34.81 eV View
- 6 -23.51 eV View
- 7 -17.41 eV View
- 8 -16.63 eV View
- 9 -15.35 eV View
- 10 -13.92 eV View
- 11 -12.59 eV View
- 12 -11.10 eV View
- 13 -10.74 eV View
- 14 -9.24 eV View
- 15 15.91 eV View
- 16 17.10 eV View
- 17 18.51 eV View
- 18 19.39 eV View
- 19 20.06 eV View
- 20 20.28 eV View
- 21 21.57 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 46.37 cm-1 View
- 2 100.23 cm-1 View
- 3 108.87 cm-1 View
- 4 126.57 cm-1 View
- 5 162.78 cm-1 View
- 6 225.32 cm-1 View
- 7 370.55 cm-1 View
- 8 991.99 cm-1 View
- 9 1023.50 cm-1 View
- 10 1162.93 cm-1 View
- 11 1363.72 cm-1 View
- 12 1365.68 cm-1 View
- 13 1370.75 cm-1 View
- 14 1407.62 cm-1 View
- 15 1740.78 cm-1 View
- 16 3032.51 cm-1 View
- 17 3065.56 cm-1 View
- 18 3133.29 cm-1 View
- 19 3860.86 cm-1 View
- 20 3875.36 cm-1 View
- 21 3983.86 cm-1 View