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 | 206.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.74 | 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 | 58.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 92.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 101.86 | J mol-1 K-1 |
| Vibrational | 71.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.62 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.10 | kJ mol-1 |
Molecular Orbitals
- 1 -551.03 eV View
- 2 -550.76 eV View
- 3 -301.69 eV View
- 4 -35.20 eV View
- 5 -34.62 eV View
- 6 -23.81 eV View
- 7 -17.29 eV View
- 8 -16.86 eV View
- 9 -15.63 eV View
- 10 -14.23 eV View
- 11 -12.32 eV View
- 12 -11.23 eV View
- 13 -10.73 eV View
- 14 -9.61 eV View
- 15 15.72 eV View
- 16 16.95 eV View
- 17 18.14 eV View
- 18 19.09 eV View
- 19 19.65 eV View
- 20 20.76 eV View
- 21 21.17 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 90.40 cm-1 View
- 2 92.53 cm-1 View
- 3 142.45 cm-1 View
- 4 188.83 cm-1 View
- 5 218.43 cm-1 View
- 6 258.75 cm-1 View
- 7 449.89 cm-1 View
- 8 989.08 cm-1 View
- 9 1027.25 cm-1 View
- 10 1159.13 cm-1 View
- 11 1359.41 cm-1 View
- 12 1365.54 cm-1 View
- 13 1368.64 cm-1 View
- 14 1407.17 cm-1 View
- 15 1745.56 cm-1 View
- 16 3030.08 cm-1 View
- 17 3060.26 cm-1 View
- 18 3118.51 cm-1 View
- 19 3845.48 cm-1 View
- 20 3875.48 cm-1 View
- 21 3970.76 cm-1 View