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 | 278.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 288.67 | 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 | 67.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 101.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 116.08 | J mol-1 K-1 |
| Vibrational | 55.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.20 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -242.56 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.43 eV View
- 2 -552.11 eV View
- 3 -303.11 eV View
- 4 -302.56 eV View
- 5 -301.05 eV View
- 6 -300.58 eV View
- 7 -280.71 eV View
- 8 -211.12 eV View
- 9 -210.97 eV View
- 10 -210.97 eV View
- 11 -36.55 eV View
- 12 -29.47 eV View
- 13 -27.48 eV View
- 14 -24.43 eV View
- 15 -22.87 eV View
- 16 -18.66 eV View
- 17 -16.91 eV View
- 18 -16.88 eV View
- 19 -15.76 eV View
- 20 -15.29 eV View
- 21 -13.80 eV View
- 22 -13.07 eV View
- 23 -12.95 eV View
- 24 -12.55 eV View
- 25 -11.30 eV View
- 26 -10.57 eV View
- 27 -9.92 eV View
- 28 -8.95 eV View
- 29 7.53 eV View
- 30 10.42 eV View
- 31 15.70 eV View
- 32 16.71 eV View
- 33 17.78 eV View
- 34 17.99 eV View
- 35 18.19 eV View
- 36 18.61 eV View
- 37 19.93 eV View
- 38 20.76 eV View
- 39 20.99 eV View
- 40 21.61 eV View
- 41 26.98 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 16.72 cm-1 View
- 2 85.11 cm-1 View
- 3 181.02 cm-1 View
- 4 189.78 cm-1 View
- 5 300.13 cm-1 View
- 6 399.48 cm-1 View
- 7 497.86 cm-1 View
- 8 557.28 cm-1 View
- 9 737.20 cm-1 View
- 10 781.51 cm-1 View
- 11 880.39 cm-1 View
- 12 900.81 cm-1 View
- 13 1028.87 cm-1 View
- 14 1042.46 cm-1 View
- 15 1110.61 cm-1 View
- 16 1131.10 cm-1 View
- 17 1141.66 cm-1 View
- 18 1164.55 cm-1 View
- 19 1256.44 cm-1 View
- 20 1342.97 cm-1 View
- 21 1359.32 cm-1 View
- 22 1369.11 cm-1 View
- 23 1400.67 cm-1 View
- 24 1409.92 cm-1 View
- 25 1426.61 cm-1 View
- 26 1968.17 cm-1 View
- 27 2942.84 cm-1 View
- 28 2993.04 cm-1 View
- 29 3023.63 cm-1 View
- 30 3057.15 cm-1 View
- 31 3084.26 cm-1 View
- 32 3086.37 cm-1 View
- 33 3183.27 cm-1 View