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 | 206.81 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.72 | 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 | 60.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 93.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 100.34 | J mol-1 K-1 |
| Vibrational | 93.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.06 | kJ mol-1 |
Molecular Orbitals
- 1 -551.01 eV View
- 2 -550.70 eV View
- 3 -301.70 eV View
- 4 -35.22 eV View
- 5 -34.56 eV View
- 6 -23.84 eV View
- 7 -17.11 eV View
- 8 -16.98 eV View
- 9 -15.69 eV View
- 10 -14.27 eV View
- 11 -12.25 eV View
- 12 -11.26 eV View
- 13 -10.63 eV View
- 14 -9.60 eV View
- 15 16.00 eV View
- 16 16.98 eV View
- 17 18.18 eV View
- 18 19.12 eV View
- 19 19.79 eV View
- 20 20.59 eV View
- 21 21.23 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 38.81 cm-1 View
- 2 51.21 cm-1 View
- 3 105.11 cm-1 View
- 4 110.81 cm-1 View
- 5 167.67 cm-1 View
- 6 253.69 cm-1 View
- 7 370.74 cm-1 View
- 8 993.45 cm-1 View
- 9 1020.22 cm-1 View
- 10 1164.71 cm-1 View
- 11 1364.85 cm-1 View
- 12 1366.44 cm-1 View
- 13 1376.33 cm-1 View
- 14 1407.56 cm-1 View
- 15 1741.40 cm-1 View
- 16 3042.98 cm-1 View
- 17 3074.59 cm-1 View
- 18 3145.64 cm-1 View
- 19 3861.98 cm-1 View
- 20 3874.35 cm-1 View
- 21 3984.64 cm-1 View