methanol oxidane
Molecule Viewer
![](http://legacy.molcalc.org/data/363631a30aaad081b84806aa732f7891/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 | 206.58 | kJ mol-1 |
Total (Trans. + Rot. + Vib.) | 216.50 | 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 | 60.67 | J mol-1 K-1 |
Total (Trans. + Rot. + Vib.) | 93.92 | J mol-1 K-1 |
Entropy | ||
Property | Value | Unit |
Translational | 157.54 | J mol-1 K-1 |
Rotational | 102.14 | J mol-1 K-1 |
Vibrational | 90.59 | J mol-1 K-1 |
Total (Trans. + Rot. + Vib.) | 350.27 | J mol-1 K-1 |
Other Properties | ||
Property | Value | Unit |
Heat of Formation | -447.92 | kJ mol-1 |
Molecular Orbitals
- 1 -551.52 eV View
- 2 -550.21 eV View
- 3 -302.08 eV View
- 4 -35.68 eV View
- 5 -34.10 eV View
- 6 -24.23 eV View
- 7 -17.43 eV View
- 8 -16.71 eV View
- 9 -16.02 eV View
- 10 -14.66 eV View
- 11 -11.81 eV View
- 12 -11.64 eV View
- 13 -10.23 eV View
- 14 -10.06 eV View
- 15 15.72 eV View
- 16 17.17 eV View
- 17 17.71 eV View
- 18 18.72 eV View
- 19 19.32 eV View
- 20 20.72 eV View
- 21 21.31 eV View
Vibrational Frequencies
Vibration |
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Vectors |
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Balls |
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- 1 25.34 cm-1 View
- 2 88.78 cm-1 View
- 3 103.08 cm-1 View
- 4 131.15 cm-1 View
- 5 187.32 cm-1 View
- 6 266.91 cm-1 View
- 7 324.41 cm-1 View
- 8 988.23 cm-1 View
- 9 1021.08 cm-1 View
- 10 1160.73 cm-1 View
- 11 1356.50 cm-1 View
- 12 1364.59 cm-1 View
- 13 1368.01 cm-1 View
- 14 1405.77 cm-1 View
- 15 1751.21 cm-1 View
- 16 3037.48 cm-1 View
- 17 3067.13 cm-1 View
- 18 3133.50 cm-1 View
- 19 3856.16 cm-1 View
- 20 3895.31 cm-1 View
- 21 3980.94 cm-1 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 | -7.14 | kJ mol-1 |
Polar Solvation Energy | -19.13 | kJ mol-1 |
Nonpolar Solvation Energy | 12.04 | kJ mol-1 |
Surface Area | 74.27 | Å2 |
Charge of Molecule | 0 | |
Dipole | 2.83 | Debye |