Oxan-2-one
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 | 335.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 345.37 | 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 | 73.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.19 | J mol-1 K-1 |
| Rotational | 113.37 | J mol-1 K-1 |
| Vibrational | 64.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 343.85 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -395.32 | kJ mol-1 |
Molecular Orbitals
- 1 -552.15 eV View
- 2 -550.80 eV View
- 3 -303.64 eV View
- 4 -302.29 eV View
- 5 -301.38 eV View
- 6 -301.20 eV View
- 7 -301.12 eV View
- 8 -37.51 eV View
- 9 -34.57 eV View
- 10 -28.85 eV View
- 11 -26.52 eV View
- 12 -23.54 eV View
- 13 -21.65 eV View
- 14 -18.56 eV View
- 15 -17.65 eV View
- 16 -16.82 eV View
- 17 -16.38 eV View
- 18 -15.46 eV View
- 19 -14.95 eV View
- 20 -13.81 eV View
- 21 -13.71 eV View
- 22 -12.57 eV View
- 23 -12.49 eV View
- 24 -11.90 eV View
- 25 -11.04 eV View
- 26 -8.78 eV View
- 27 -8.60 eV View
- 28 8.60 eV View
- 29 14.58 eV View
- 30 14.95 eV View
- 31 15.71 eV View
- 32 16.02 eV View
- 33 16.70 eV View
- 34 17.89 eV View
- 35 18.72 eV View
- 36 18.93 eV View
- 37 19.81 eV View
- 38 20.18 eV View
- 39 20.73 eV View
- 40 21.25 eV View
- 41 21.75 eV View
- 42 23.49 eV View
- 43 28.00 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 28.47 cm-1 View
- 2 115.01 cm-1 View
- 3 258.54 cm-1 View
- 4 437.56 cm-1 View
- 5 443.23 cm-1 View
- 6 505.64 cm-1 View
- 7 577.22 cm-1 View
- 8 686.67 cm-1 View
- 9 772.22 cm-1 View
- 10 883.79 cm-1 View
- 11 909.39 cm-1 View
- 12 942.70 cm-1 View
- 13 964.36 cm-1 View
- 14 998.71 cm-1 View
- 15 1043.23 cm-1 View
- 16 1058.06 cm-1 View
- 17 1096.31 cm-1 View
- 18 1104.98 cm-1 View
- 19 1115.76 cm-1 View
- 20 1124.83 cm-1 View
- 21 1153.37 cm-1 View
- 22 1284.62 cm-1 View
- 23 1312.46 cm-1 View
- 24 1332.96 cm-1 View
- 25 1338.48 cm-1 View
- 26 1370.51 cm-1 View
- 27 1373.40 cm-1 View
- 28 1404.71 cm-1 View
- 29 1412.66 cm-1 View
- 30 1417.04 cm-1 View
- 31 1996.03 cm-1 View
- 32 2947.57 cm-1 View
- 33 2953.74 cm-1 View
- 34 2960.08 cm-1 View
- 35 2970.00 cm-1 View
- 36 3035.59 cm-1 View
- 37 3037.37 cm-1 View
- 38 3042.93 cm-1 View
- 39 3050.76 cm-1 View