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.) | 291.60 | 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 | 75.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 109.06 | 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 | 84.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 367.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -243.85 | 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 -301.09 eV View
- 6 -300.65 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 -27.56 eV View
- 14 -24.45 eV View
- 15 -22.83 eV View
- 16 -18.79 eV View
- 17 -17.07 eV View
- 18 -16.75 eV View
- 19 -15.75 eV View
- 20 -15.07 eV View
- 21 -13.99 eV View
- 22 -13.24 eV View
- 23 -13.06 eV View
- 24 -12.63 eV View
- 25 -11.13 eV View
- 26 -10.59 eV View
- 27 -10.02 eV View
- 28 -8.97 eV View
- 29 7.25 eV View
- 30 10.98 eV View
- 31 15.54 eV View
- 32 16.57 eV View
- 33 17.47 eV View
- 34 17.98 eV View
- 35 18.36 eV View
- 36 18.75 eV View
- 37 19.84 eV View
- 38 20.65 eV View
- 39 20.78 eV View
- 40 21.59 eV View
- 41 27.15 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 28.63 cm-1 View
- 2 50.90 cm-1 View
- 3 175.16 cm-1 View
- 4 181.69 cm-1 View
- 5 294.22 cm-1 View
- 6 392.93 cm-1 View
- 7 490.09 cm-1 View
- 8 627.85 cm-1 View
- 9 714.56 cm-1 View
- 10 814.23 cm-1 View
- 11 871.80 cm-1 View
- 12 913.47 cm-1 View
- 13 1016.54 cm-1 View
- 14 1057.63 cm-1 View
- 15 1080.67 cm-1 View
- 16 1115.90 cm-1 View
- 17 1142.98 cm-1 View
- 18 1184.28 cm-1 View
- 19 1253.99 cm-1 View
- 20 1348.01 cm-1 View
- 21 1368.21 cm-1 View
- 22 1377.40 cm-1 View
- 23 1402.39 cm-1 View
- 24 1408.73 cm-1 View
- 25 1422.74 cm-1 View
- 26 1979.05 cm-1 View
- 27 2947.63 cm-1 View
- 28 3000.96 cm-1 View
- 29 3029.41 cm-1 View
- 30 3059.88 cm-1 View
- 31 3083.95 cm-1 View
- 32 3085.99 cm-1 View
- 33 3182.89 cm-1 View