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 | 206.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.55 | 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 | 60.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 100.60 | J mol-1 K-1 |
| Vibrational | 92.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.84 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.05 | kJ mol-1 |
Molecular Orbitals
- 1 -550.95 eV View
- 2 -550.76 eV View
- 3 -301.67 eV View
- 4 -35.17 eV View
- 5 -34.63 eV View
- 6 -23.80 eV View
- 7 -17.16 eV View
- 8 -16.93 eV View
- 9 -15.64 eV View
- 10 -14.22 eV View
- 11 -12.31 eV View
- 12 -11.24 eV View
- 13 -10.66 eV View
- 14 -9.55 eV View
- 15 15.99 eV View
- 16 16.97 eV View
- 17 18.22 eV View
- 18 19.13 eV View
- 19 19.81 eV View
- 20 20.54 eV View
- 21 21.29 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 41.40 cm-1 View
- 2 65.00 cm-1 View
- 3 96.15 cm-1 View
- 4 104.43 cm-1 View
- 5 160.24 cm-1 View
- 6 246.86 cm-1 View
- 7 352.93 cm-1 View
- 8 994.90 cm-1 View
- 9 1022.01 cm-1 View
- 10 1164.45 cm-1 View
- 11 1364.90 cm-1 View
- 12 1365.90 cm-1 View
- 13 1376.07 cm-1 View
- 14 1407.64 cm-1 View
- 15 1740.39 cm-1 View
- 16 3036.46 cm-1 View
- 17 3068.66 cm-1 View
- 18 3140.32 cm-1 View
- 19 3863.84 cm-1 View
- 20 3873.11 cm-1 View
- 21 3986.21 cm-1 View