Propan-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 | 221.48 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 231.40 | 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 | 28.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 61.56 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 101.00 | J mol-1 K-1 |
| Vibrational | 11.99 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 272.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -218.78 | kJ mol-1 |
Molecular Orbitals
- 1 -551.49 eV View
- 2 -302.62 eV View
- 3 -300.64 eV View
- 4 -300.64 eV View
- 5 -35.97 eV View
- 6 -26.80 eV View
- 7 -24.94 eV View
- 8 -18.64 eV View
- 9 -15.99 eV View
- 10 -15.71 eV View
- 11 -15.65 eV View
- 12 -14.27 eV View
- 13 -13.21 eV View
- 14 -13.21 eV View
- 15 -10.58 eV View
- 16 -8.83 eV View
- 17 7.94 eV View
- 18 16.34 eV View
- 19 18.02 eV View
- 20 18.54 eV View
- 21 18.72 eV View
- 22 19.47 eV View
- 23 19.68 eV View
- 24 20.54 eV View
- 25 22.30 eV View
- 26 27.47 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 20.28 cm-1 View
- 2 30.88 cm-1 View
- 3 385.00 cm-1 View
- 4 530.07 cm-1 View
- 5 535.76 cm-1 View
- 6 896.42 cm-1 View
- 7 903.94 cm-1 View
- 8 976.59 cm-1 View
- 9 1022.57 cm-1 View
- 10 1064.05 cm-1 View
- 11 1255.51 cm-1 View
- 12 1367.30 cm-1 View
- 13 1381.72 cm-1 View
- 14 1391.73 cm-1 View
- 15 1393.82 cm-1 View
- 16 1396.93 cm-1 View
- 17 1417.80 cm-1 View
- 18 1972.51 cm-1 View
- 19 3082.12 cm-1 View
- 20 3082.99 cm-1 View
- 21 3084.15 cm-1 View
- 22 3086.72 cm-1 View
- 23 3181.04 cm-1 View
- 24 3182.67 cm-1 View