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 | 206.64 | 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 | 60.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.04 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 100.91 | J mol-1 K-1 |
| Vibrational | 93.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.83 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.03 | kJ mol-1 |
Molecular Orbitals
- 1 -550.93 eV View
- 2 -550.79 eV View
- 3 -301.65 eV View
- 4 -35.15 eV View
- 5 -34.65 eV View
- 6 -23.78 eV View
- 7 -17.19 eV View
- 8 -16.92 eV View
- 9 -15.62 eV View
- 10 -14.21 eV View
- 11 -12.34 eV View
- 12 -11.23 eV View
- 13 -10.67 eV View
- 14 -9.53 eV View
- 15 15.99 eV View
- 16 16.97 eV View
- 17 18.25 eV View
- 18 19.15 eV View
- 19 19.83 eV View
- 20 20.51 eV View
- 21 21.31 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 40.59 cm-1 View
- 2 61.33 cm-1 View
- 3 93.40 cm-1 View
- 4 105.99 cm-1 View
- 5 161.75 cm-1 View
- 6 243.82 cm-1 View
- 7 358.25 cm-1 View
- 8 994.15 cm-1 View
- 9 1022.07 cm-1 View
- 10 1164.46 cm-1 View
- 11 1364.98 cm-1 View
- 12 1365.78 cm-1 View
- 13 1374.40 cm-1 View
- 14 1407.66 cm-1 View
- 15 1739.92 cm-1 View
- 16 3036.32 cm-1 View
- 17 3068.81 cm-1 View
- 18 3140.40 cm-1 View
- 19 3864.91 cm-1 View
- 20 3873.32 cm-1 View
- 21 3987.16 cm-1 View