Chlorobenzene
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 | 242.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 252.88 | 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 | 64.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.48 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.59 | J mol-1 K-1 |
| Rotational | 115.99 | J mol-1 K-1 |
| Vibrational | 37.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 321.23 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 69.72 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.92 eV View
- 2 -301.85 eV View
- 3 -300.65 eV View
- 4 -300.65 eV View
- 5 -300.60 eV View
- 6 -300.60 eV View
- 7 -300.49 eV View
- 8 -281.13 eV View
- 9 -211.55 eV View
- 10 -211.39 eV View
- 11 -211.39 eV View
- 12 -30.86 eV View
- 13 -28.69 eV View
- 14 -26.51 eV View
- 15 -25.19 eV View
- 16 -21.50 eV View
- 17 -20.63 eV View
- 18 -17.97 eV View
- 19 -16.11 eV View
- 20 -15.98 eV View
- 21 -14.98 eV View
- 22 -14.29 eV View
- 23 -13.61 eV View
- 24 -12.45 eV View
- 25 -12.03 eV View
- 26 -11.07 eV View
- 27 -10.18 eV View
- 28 -8.12 eV View
- 29 -7.48 eV View
- 30 6.81 eV View
- 31 6.88 eV View
- 32 11.60 eV View
- 33 13.25 eV View
- 34 15.90 eV View
- 35 16.97 eV View
- 36 18.14 eV View
- 37 19.28 eV View
- 38 19.55 eV View
- 39 22.68 eV View
- 40 23.51 eV View
- 41 23.78 eV View
- 42 23.90 eV View
- 43 29.13 eV View
- 44 30.55 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 174.44 cm-1 View
- 2 289.59 cm-1 View
- 3 358.63 cm-1 View
- 4 410.30 cm-1 View
- 5 446.34 cm-1 View
- 6 627.95 cm-1 View
- 7 633.78 cm-1 View
- 8 706.92 cm-1 View
- 9 770.10 cm-1 View
- 10 847.79 cm-1 View
- 11 932.10 cm-1 View
- 12 978.95 cm-1 View
- 13 992.34 cm-1 View
- 14 1016.39 cm-1 View
- 15 1066.68 cm-1 View
- 16 1093.70 cm-1 View
- 17 1143.37 cm-1 View
- 18 1151.05 cm-1 View
- 19 1209.44 cm-1 View
- 20 1254.65 cm-1 View
- 21 1309.04 cm-1 View
- 22 1536.40 cm-1 View
- 23 1545.22 cm-1 View
- 24 1778.85 cm-1 View
- 25 1780.24 cm-1 View
- 26 3055.27 cm-1 View
- 27 3058.53 cm-1 View
- 28 3065.52 cm-1 View
- 29 3071.62 cm-1 View
- 30 3080.60 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 |