5-chloropentan-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 | 355.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 365.57 | 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 | 88.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 121.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 120.89 | J mol-1 K-1 |
| Vibrational | 91.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 381.03 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -275.08 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.92 eV View
- 2 -551.74 eV View
- 3 -302.77 eV View
- 4 -302.36 eV View
- 5 -301.20 eV View
- 6 -301.15 eV View
- 7 -300.78 eV View
- 8 -280.22 eV View
- 9 -210.63 eV View
- 10 -210.48 eV View
- 11 -210.48 eV View
- 12 -36.21 eV View
- 13 -29.59 eV View
- 14 -27.59 eV View
- 15 -26.11 eV View
- 16 -23.76 eV View
- 17 -21.45 eV View
- 18 -18.67 eV View
- 19 -17.40 eV View
- 20 -16.48 eV View
- 21 -15.69 eV View
- 22 -15.66 eV View
- 23 -14.56 eV View
- 24 -14.20 eV View
- 25 -13.87 eV View
- 26 -13.00 eV View
- 27 -12.62 eV View
- 28 -11.98 eV View
- 29 -10.84 eV View
- 30 -9.71 eV View
- 31 -9.70 eV View
- 32 -8.89 eV View
- 33 7.85 eV View
- 34 10.70 eV View
- 35 15.51 eV View
- 36 15.67 eV View
- 37 17.38 eV View
- 38 17.98 eV View
- 39 18.03 eV View
- 40 18.64 eV View
- 41 18.91 eV View
- 42 19.26 eV View
- 43 19.51 eV View
- 44 19.81 eV View
- 45 20.34 eV View
- 46 21.23 eV View
- 47 21.87 eV View
- 48 27.62 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 28.74 cm-1 View
- 2 46.56 cm-1 View
- 3 77.56 cm-1 View
- 4 97.72 cm-1 View
- 5 120.36 cm-1 View
- 6 271.43 cm-1 View
- 7 317.20 cm-1 View
- 8 456.84 cm-1 View
- 9 515.23 cm-1 View
- 10 586.58 cm-1 View
- 11 719.31 cm-1 View
- 12 764.86 cm-1 View
- 13 840.41 cm-1 View
- 14 927.16 cm-1 View
- 15 954.37 cm-1 View
- 16 1034.97 cm-1 View
- 17 1036.49 cm-1 View
- 18 1071.83 cm-1 View
- 19 1111.83 cm-1 View
- 20 1128.24 cm-1 View
- 21 1134.38 cm-1 View
- 22 1149.16 cm-1 View
- 23 1169.65 cm-1 View
- 24 1224.68 cm-1 View
- 25 1310.68 cm-1 View
- 26 1367.25 cm-1 View
- 27 1371.76 cm-1 View
- 28 1380.22 cm-1 View
- 29 1393.14 cm-1 View
- 30 1408.82 cm-1 View
- 31 1412.43 cm-1 View
- 32 1427.38 cm-1 View
- 33 1975.71 cm-1 View
- 34 2942.00 cm-1 View
- 35 2960.45 cm-1 View
- 36 3001.64 cm-1 View
- 37 3022.55 cm-1 View
- 38 3041.39 cm-1 View
- 39 3059.23 cm-1 View
- 40 3083.09 cm-1 View
- 41 3087.89 cm-1 View
- 42 3183.25 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 |