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 | 226.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 236.68 | 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 | 44.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 77.80 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 100.97 | J mol-1 K-1 |
| Vibrational | 40.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 300.43 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -222.83 | kJ mol-1 |
Molecular Orbitals
- 1 -551.57 eV View
- 2 -302.61 eV View
- 3 -300.66 eV View
- 4 -300.66 eV View
- 5 -36.00 eV View
- 6 -26.89 eV View
- 7 -24.91 eV View
- 8 -18.64 eV View
- 9 -16.05 eV View
- 10 -15.85 eV View
- 11 -15.56 eV View
- 12 -14.15 eV View
- 13 -13.40 eV View
- 14 -13.10 eV View
- 15 -10.72 eV View
- 16 -8.87 eV View
- 17 8.03 eV View
- 18 16.54 eV View
- 19 18.39 eV View
- 20 18.45 eV View
- 21 18.76 eV View
- 22 19.44 eV View
- 23 19.62 eV View
- 24 20.20 eV View
- 25 21.90 eV View
- 26 27.73 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 92.11 cm-1 View
- 2 119.75 cm-1 View
- 3 390.21 cm-1 View
- 4 522.23 cm-1 View
- 5 537.68 cm-1 View
- 6 892.17 cm-1 View
- 7 928.54 cm-1 View
- 8 943.24 cm-1 View
- 9 1033.73 cm-1 View
- 10 1060.36 cm-1 View
- 11 1274.58 cm-1 View
- 12 1373.96 cm-1 View
- 13 1385.02 cm-1 View
- 14 1391.94 cm-1 View
- 15 1396.27 cm-1 View
- 16 1399.37 cm-1 View
- 17 1411.44 cm-1 View
- 18 1978.79 cm-1 View
- 19 3082.67 cm-1 View
- 20 3083.28 cm-1 View
- 21 3089.60 cm-1 View
- 22 3091.14 cm-1 View
- 23 3180.50 cm-1 View
- 24 3181.05 cm-1 View