1-chlorobutan-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 | 281.55 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.46 | 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 | 75.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 109.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 116.03 | J mol-1 K-1 |
| Vibrational | 81.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 364.51 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -244.13 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.43 eV View
- 2 -552.25 eV View
- 3 -303.12 eV View
- 4 -302.53 eV View
- 5 -301.08 eV View
- 6 -300.62 eV View
- 7 -280.71 eV View
- 8 -211.13 eV View
- 9 -210.98 eV View
- 10 -210.98 eV View
- 11 -36.60 eV View
- 12 -29.47 eV View
- 13 -27.54 eV View
- 14 -24.46 eV View
- 15 -22.82 eV View
- 16 -18.76 eV View
- 17 -17.08 eV View
- 18 -16.70 eV View
- 19 -15.85 eV View
- 20 -15.08 eV View
- 21 -13.91 eV View
- 22 -13.17 eV View
- 23 -13.10 eV View
- 24 -12.65 eV View
- 25 -11.15 eV View
- 26 -10.58 eV View
- 27 -10.02 eV View
- 28 -8.97 eV View
- 29 7.28 eV View
- 30 10.94 eV View
- 31 15.56 eV View
- 32 16.64 eV View
- 33 17.50 eV View
- 34 17.96 eV View
- 35 18.34 eV View
- 36 18.67 eV View
- 37 19.87 eV View
- 38 20.70 eV View
- 39 20.86 eV View
- 40 21.54 eV View
- 41 27.16 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 39.68 cm-1 View
- 2 52.99 cm-1 View
- 3 176.32 cm-1 View
- 4 183.85 cm-1 View
- 5 290.86 cm-1 View
- 6 396.05 cm-1 View
- 7 492.67 cm-1 View
- 8 610.70 cm-1 View
- 9 715.23 cm-1 View
- 10 811.51 cm-1 View
- 11 871.85 cm-1 View
- 12 912.98 cm-1 View
- 13 1021.15 cm-1 View
- 14 1050.88 cm-1 View
- 15 1081.60 cm-1 View
- 16 1122.78 cm-1 View
- 17 1138.79 cm-1 View
- 18 1180.00 cm-1 View
- 19 1254.48 cm-1 View
- 20 1348.86 cm-1 View
- 21 1366.51 cm-1 View
- 22 1372.81 cm-1 View
- 23 1401.47 cm-1 View
- 24 1409.33 cm-1 View
- 25 1425.03 cm-1 View
- 26 1978.42 cm-1 View
- 27 2945.60 cm-1 View
- 28 3000.50 cm-1 View
- 29 3027.53 cm-1 View
- 30 3059.97 cm-1 View
- 31 3083.76 cm-1 View
- 32 3085.85 cm-1 View
- 33 3182.71 cm-1 View