methanol oxidane
Molecule Viewer
![](http://legacy.molcalc.org/data/c3df20c4f2abeb7e214ca58d8c75fbb0/thumbnail.png)
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 |