1,4-dichlorobenzene
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 | 222.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 232.00 | 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 | 79.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 113.02 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 122.52 | J mol-1 K-1 |
| Vibrational | 57.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.23 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 42.27 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.23 eV View
- 2 -2820.23 eV View
- 3 -302.20 eV View
- 4 -302.19 eV View
- 5 -301.12 eV View
- 6 -301.12 eV View
- 7 -301.11 eV View
- 8 -301.11 eV View
- 9 -281.43 eV View
- 10 -281.43 eV View
- 11 -211.85 eV View
- 12 -211.85 eV View
- 13 -211.69 eV View
- 14 -211.69 eV View
- 15 -211.68 eV View
- 16 -211.68 eV View
- 17 -31.53 eV View
- 18 -30.12 eV View
- 19 -27.93 eV View
- 20 -27.01 eV View
- 21 -24.57 eV View
- 22 -22.12 eV View
- 23 -20.65 eV View
- 24 -17.53 eV View
- 25 -16.80 eV View
- 26 -16.45 eV View
- 27 -15.44 eV View
- 28 -14.31 eV View
- 29 -14.06 eV View
- 30 -13.17 eV View
- 31 -12.46 eV View
- 32 -12.32 eV View
- 33 -10.48 eV View
- 34 -10.47 eV View
- 35 -10.42 eV View
- 36 -8.58 eV View
- 37 -7.40 eV View
- 38 6.30 eV View
- 39 6.44 eV View
- 40 11.09 eV View
- 41 11.59 eV View
- 42 12.73 eV View
- 43 16.53 eV View
- 44 17.32 eV View
- 45 17.87 eV View
- 46 19.18 eV View
- 47 21.47 eV View
- 48 23.00 eV View
- 49 23.11 eV View
- 50 23.34 eV View
- 51 28.50 eV View
- 52 29.72 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.36 cm-1 View
- 2 217.99 cm-1 View
- 3 279.65 cm-1 View
- 4 323.80 cm-1 View
- 5 347.76 cm-1 View
- 6 361.22 cm-1 View
- 7 493.25 cm-1 View
- 8 531.34 cm-1 View
- 9 639.69 cm-1 View
- 10 663.95 cm-1 View
- 11 755.70 cm-1 View
- 12 845.84 cm-1 View
- 13 862.53 cm-1 View
- 14 979.48 cm-1 View
- 15 994.14 cm-1 View
- 16 1006.71 cm-1 View
- 17 1070.29 cm-1 View
- 18 1112.74 cm-1 View
- 19 1137.78 cm-1 View
- 20 1197.75 cm-1 View
- 21 1277.31 cm-1 View
- 22 1315.12 cm-1 View
- 23 1524.45 cm-1 View
- 24 1542.22 cm-1 View
- 25 1771.80 cm-1 View
- 26 1775.50 cm-1 View
- 27 3056.71 cm-1 View
- 28 3058.21 cm-1 View
- 29 3069.69 cm-1 View
- 30 3073.35 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 |