Ethaneperoxoic acid
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 | 177.81 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 187.73 | 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 | 57.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.52 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.76 | J mol-1 K-1 |
| Rotational | 105.91 | J mol-1 K-1 |
| Vibrational | 59.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 328.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -326.88 | kJ mol-1 |
Molecular Orbitals
- 1 -553.49 eV View
- 2 -553.33 eV View
- 3 -551.41 eV View
- 4 -304.22 eV View
- 5 -301.34 eV View
- 6 -38.56 eV View
- 7 -35.81 eV View
- 8 -32.12 eV View
- 9 -26.31 eV View
- 10 -19.06 eV View
- 11 -17.29 eV View
- 12 -16.27 eV View
- 13 -16.08 eV View
- 14 -14.70 eV View
- 15 -14.23 eV View
- 16 -13.92 eV View
- 17 -11.73 eV View
- 18 -11.34 eV View
- 19 -9.39 eV View
- 20 -9.16 eV View
- 21 8.31 eV View
- 22 9.98 eV View
- 23 16.95 eV View
- 24 17.38 eV View
- 25 17.52 eV View
- 26 18.80 eV View
- 27 19.31 eV View
- 28 20.91 eV View
- 29 27.39 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 76.27 cm-1 View
- 2 110.44 cm-1 View
- 3 180.70 cm-1 View
- 4 211.47 cm-1 View
- 5 392.00 cm-1 View
- 6 552.46 cm-1 View
- 7 564.21 cm-1 View
- 8 821.45 cm-1 View
- 9 946.26 cm-1 View
- 10 996.39 cm-1 View
- 11 1011.26 cm-1 View
- 12 1310.73 cm-1 View
- 13 1375.46 cm-1 View
- 14 1389.95 cm-1 View
- 15 1395.16 cm-1 View
- 16 1515.12 cm-1 View
- 17 1993.09 cm-1 View
- 18 3085.31 cm-1 View
- 19 3088.72 cm-1 View
- 20 3176.63 cm-1 View
- 21 3978.09 cm-1 View