Benzoyl chloride
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 | 274.71 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 284.62 | 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 | 91.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 124.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.38 | J mol-1 K-1 |
| Rotational | 123.01 | J mol-1 K-1 |
| Vibrational | 80.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 373.82 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -76.50 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.26 eV View
- 2 -553.16 eV View
- 3 -304.56 eV View
- 4 -301.22 eV View
- 5 -301.03 eV View
- 6 -300.95 eV View
- 7 -300.93 eV View
- 8 -300.74 eV View
- 9 -300.72 eV View
- 10 -280.57 eV View
- 11 -210.97 eV View
- 12 -210.83 eV View
- 13 -210.83 eV View
- 14 -37.43 eV View
- 15 -30.58 eV View
- 16 -28.33 eV View
- 17 -26.85 eV View
- 18 -26.59 eV View
- 19 -22.51 eV View
- 20 -21.54 eV View
- 21 -19.56 eV View
- 22 -17.99 eV View
- 23 -16.55 eV View
- 24 -16.26 eV View
- 25 -15.67 eV View
- 26 -15.13 eV View
- 27 -14.62 eV View
- 28 -14.56 eV View
- 29 -12.90 eV View
- 30 -12.66 eV View
- 31 -12.34 eV View
- 32 -10.18 eV View
- 33 -9.99 eV View
- 34 -9.56 eV View
- 35 -8.27 eV View
- 36 -8.21 eV View
- 37 5.00 eV View
- 38 6.76 eV View
- 39 8.91 eV View
- 40 10.20 eV View
- 41 13.48 eV View
- 42 15.09 eV View
- 43 16.62 eV View
- 44 17.10 eV View
- 45 18.60 eV View
- 46 19.08 eV View
- 47 19.46 eV View
- 48 22.27 eV View
- 49 23.29 eV View
- 50 23.40 eV View
- 51 23.98 eV View
- 52 26.52 eV View
- 53 29.55 eV View
- 54 30.53 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 21.48 cm-1 View
- 2 143.84 cm-1 View
- 3 194.85 cm-1 View
- 4 311.75 cm-1 View
- 5 353.88 cm-1 View
- 6 400.98 cm-1 View
- 7 415.86 cm-1 View
- 8 504.88 cm-1 View
- 9 591.47 cm-1 View
- 10 627.98 cm-1 View
- 11 661.19 cm-1 View
- 12 679.61 cm-1 View
- 13 789.86 cm-1 View
- 14 850.70 cm-1 View
- 15 885.02 cm-1 View
- 16 951.76 cm-1 View
- 17 984.25 cm-1 View
- 18 1025.31 cm-1 View
- 19 1045.94 cm-1 View
- 20 1111.01 cm-1 View
- 21 1129.42 cm-1 View
- 22 1155.42 cm-1 View
- 23 1174.92 cm-1 View
- 24 1233.73 cm-1 View
- 25 1319.41 cm-1 View
- 26 1344.90 cm-1 View
- 27 1539.46 cm-1 View
- 28 1585.06 cm-1 View
- 29 1776.56 cm-1 View
- 30 1791.00 cm-1 View
- 31 1968.30 cm-1 View
- 32 3033.93 cm-1 View
- 33 3044.11 cm-1 View
- 34 3055.30 cm-1 View
- 35 3064.52 cm-1 View
- 36 3075.88 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 |