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 | 206.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.40 | 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 | 60.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 102.83 | J mol-1 K-1 |
| Vibrational | 89.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 349.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -446.55 | kJ mol-1 |
Molecular Orbitals
- 1 -551.01 eV View
- 2 -550.65 eV View
- 3 -301.43 eV View
- 4 -34.91 eV View
- 5 -34.83 eV View
- 6 -23.54 eV View
- 7 -17.41 eV View
- 8 -16.67 eV View
- 9 -15.39 eV View
- 10 -13.96 eV View
- 11 -12.57 eV View
- 12 -11.13 eV View
- 13 -10.73 eV View
- 14 -9.27 eV View
- 15 15.91 eV View
- 16 17.08 eV View
- 17 18.48 eV View
- 18 19.35 eV View
- 19 20.03 eV View
- 20 20.30 eV View
- 21 21.56 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -4.82 | kJ mol-1 |
| Polar Solvation Energy | -19.89 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.05 | kJ mol-1 |
| Surface Area | 82.68 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.26 | Debye |