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 | 281.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 291.61 | 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 | 75.76 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 109.01 | 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 | 79.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 361.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -244.54 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.46 eV View
- 2 -552.29 eV View
- 3 -303.11 eV View
- 4 -302.53 eV View
- 5 -301.08 eV View
- 6 -300.62 eV View
- 7 -280.74 eV View
- 8 -211.15 eV View
- 9 -211.00 eV View
- 10 -211.00 eV View
- 11 -36.62 eV View
- 12 -29.45 eV View
- 13 -27.56 eV View
- 14 -24.50 eV View
- 15 -22.75 eV View
- 16 -18.81 eV View
- 17 -17.13 eV View
- 18 -16.47 eV View
- 19 -16.13 eV View
- 20 -14.90 eV View
- 21 -13.87 eV View
- 22 -13.37 eV View
- 23 -12.97 eV View
- 24 -12.70 eV View
- 25 -11.12 eV View
- 26 -10.61 eV View
- 27 -10.05 eV View
- 28 -8.98 eV View
- 29 7.18 eV View
- 30 11.15 eV View
- 31 15.47 eV View
- 32 16.84 eV View
- 33 17.33 eV View
- 34 18.05 eV View
- 35 18.27 eV View
- 36 18.62 eV View
- 37 19.89 eV View
- 38 20.71 eV View
- 39 20.93 eV View
- 40 21.44 eV View
- 41 27.21 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 45.42 cm-1 View
- 2 62.16 cm-1 View
- 3 172.63 cm-1 View
- 4 194.28 cm-1 View
- 5 274.89 cm-1 View
- 6 403.80 cm-1 View
- 7 511.79 cm-1 View
- 8 596.06 cm-1 View
- 9 712.04 cm-1 View
- 10 826.05 cm-1 View
- 11 864.58 cm-1 View
- 12 922.32 cm-1 View
- 13 1028.48 cm-1 View
- 14 1046.68 cm-1 View
- 15 1073.38 cm-1 View
- 16 1130.60 cm-1 View
- 17 1140.57 cm-1 View
- 18 1180.39 cm-1 View
- 19 1252.73 cm-1 View
- 20 1351.33 cm-1 View
- 21 1365.57 cm-1 View
- 22 1375.51 cm-1 View
- 23 1400.44 cm-1 View
- 24 1409.97 cm-1 View
- 25 1426.09 cm-1 View
- 26 1981.39 cm-1 View
- 27 2941.09 cm-1 View
- 28 3004.89 cm-1 View
- 29 3020.14 cm-1 View
- 30 3063.23 cm-1 View
- 31 3083.69 cm-1 View
- 32 3087.63 cm-1 View
- 33 3183.87 cm-1 View