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 | 206.70 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.62 | 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 | 60.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 93.91 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 100.26 | J mol-1 K-1 |
| Vibrational | 91.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 349.50 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.08 | kJ mol-1 |
Molecular Orbitals
- 1 -551.02 eV View
- 2 -550.70 eV View
- 3 -301.72 eV View
- 4 -35.23 eV View
- 5 -34.56 eV View
- 6 -23.84 eV View
- 7 -17.10 eV View
- 8 -16.98 eV View
- 9 -15.69 eV View
- 10 -14.28 eV View
- 11 -12.25 eV View
- 12 -11.27 eV View
- 13 -10.62 eV View
- 14 -9.61 eV View
- 15 15.99 eV View
- 16 16.98 eV View
- 17 18.17 eV View
- 18 19.09 eV View
- 19 19.76 eV View
- 20 20.59 eV View
- 21 21.22 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 40.81 cm-1 View
- 2 67.23 cm-1 View
- 3 98.35 cm-1 View
- 4 108.90 cm-1 View
- 5 160.96 cm-1 View
- 6 250.05 cm-1 View
- 7 363.02 cm-1 View
- 8 995.60 cm-1 View
- 9 1022.11 cm-1 View
- 10 1164.63 cm-1 View
- 11 1364.83 cm-1 View
- 12 1365.68 cm-1 View
- 13 1377.97 cm-1 View
- 14 1407.81 cm-1 View
- 15 1740.93 cm-1 View
- 16 3037.04 cm-1 View
- 17 3069.20 cm-1 View
- 18 3140.55 cm-1 View
- 19 3863.44 cm-1 View
- 20 3873.02 cm-1 View
- 21 3985.91 cm-1 View