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.) | 288.68 | 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 | 67.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 101.08 | 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 | 55.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -242.58 | 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 -18.67 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 |
|
| Vectors |
|
| Balls |
|
- 1 14.05 cm-1 View
- 2 83.73 cm-1 View
- 3 180.77 cm-1 View
- 4 189.54 cm-1 View
- 5 300.08 cm-1 View
- 6 399.53 cm-1 View
- 7 497.26 cm-1 View
- 8 557.20 cm-1 View
- 9 737.06 cm-1 View
- 10 781.52 cm-1 View
- 11 880.34 cm-1 View
- 12 900.81 cm-1 View
- 13 1029.00 cm-1 View
- 14 1042.52 cm-1 View
- 15 1110.57 cm-1 View
- 16 1131.01 cm-1 View
- 17 1141.56 cm-1 View
- 18 1164.54 cm-1 View
- 19 1256.44 cm-1 View
- 20 1343.06 cm-1 View
- 21 1359.31 cm-1 View
- 22 1369.10 cm-1 View
- 23 1400.64 cm-1 View
- 24 1409.88 cm-1 View
- 25 1426.52 cm-1 View
- 26 1968.29 cm-1 View
- 27 2943.02 cm-1 View
- 28 2993.30 cm-1 View
- 29 3023.87 cm-1 View
- 30 3057.64 cm-1 View
- 31 3084.41 cm-1 View
- 32 3086.32 cm-1 View
- 33 3183.32 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |