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 | 206.63 | 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 | 60.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.03 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 100.95 | J mol-1 K-1 |
| Vibrational | 93.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.99 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -447.06 | kJ mol-1 |
Molecular Orbitals
- 1 -550.92 eV View
- 2 -550.78 eV View
- 3 -301.65 eV View
- 4 -35.15 eV View
- 5 -34.65 eV View
- 6 -23.77 eV View
- 7 -17.19 eV View
- 8 -16.91 eV View
- 9 -15.62 eV View
- 10 -14.20 eV View
- 11 -12.33 eV View
- 12 -11.22 eV View
- 13 -10.67 eV View
- 14 -9.53 eV View
- 15 16.00 eV View
- 16 16.97 eV View
- 17 18.25 eV View
- 18 19.15 eV View
- 19 19.83 eV View
- 20 20.52 eV View
- 21 21.31 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 | -6.75 | kJ mol-1 |
| Polar Solvation Energy | -19.52 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.75 | kJ mol-1 |
| Surface Area | 79.78 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.26 | Debye |