1,2,4-trichlorobenzene
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 | 201.34 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 211.25 | 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 | 95.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.51 | J mol-1 K-1 |
| Rotational | 128.63 | J mol-1 K-1 |
| Vibrational | 78.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 380.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 20.07 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.70 eV View
- 2 -2820.64 eV View
- 3 -2820.54 eV View
- 4 -302.72 eV View
- 5 -302.60 eV View
- 6 -302.58 eV View
- 7 -301.54 eV View
- 8 -301.50 eV View
- 9 -301.39 eV View
- 10 -281.86 eV View
- 11 -281.80 eV View
- 12 -281.72 eV View
- 13 -212.28 eV View
- 14 -212.22 eV View
- 15 -212.14 eV View
- 16 -212.11 eV View
- 17 -212.11 eV View
- 18 -212.06 eV View
- 19 -212.05 eV View
- 20 -211.98 eV View
- 21 -211.97 eV View
- 22 -32.29 eV View
- 23 -30.64 eV View
- 24 -29.52 eV View
- 25 -28.16 eV View
- 26 -26.36 eV View
- 27 -24.74 eV View
- 28 -22.18 eV View
- 29 -20.61 eV View
- 30 -17.75 eV View
- 31 -17.47 eV View
- 32 -16.42 eV View
- 33 -15.17 eV View
- 34 -15.06 eV View
- 35 -14.38 eV View
- 36 -13.46 eV View
- 37 -12.90 eV View
- 38 -12.79 eV View
- 39 -11.93 eV View
- 40 -10.97 eV View
- 41 -10.69 eV View
- 42 -10.57 eV View
- 43 -10.46 eV View
- 44 -8.44 eV View
- 45 -7.59 eV View
- 46 5.91 eV View
- 47 6.02 eV View
- 48 9.85 eV View
- 49 11.28 eV View
- 50 12.28 eV View
- 51 12.77 eV View
- 52 16.53 eV View
- 53 17.27 eV View
- 54 18.52 eV View
- 55 20.88 eV View
- 56 22.19 eV View
- 57 22.48 eV View
- 58 22.78 eV View
- 59 27.97 eV View
- 60 28.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 89.42 cm-1 View
- 2 160.49 cm-1 View
- 3 174.21 cm-1 View
- 4 205.80 cm-1 View
- 5 290.36 cm-1 View
- 6 322.14 cm-1 View
- 7 392.02 cm-1 View
- 8 413.08 cm-1 View
- 9 440.98 cm-1 View
- 10 554.78 cm-1 View
- 11 555.56 cm-1 View
- 12 695.28 cm-1 View
- 13 701.46 cm-1 View
- 14 798.56 cm-1 View
- 15 854.52 cm-1 View
- 16 935.95 cm-1 View
- 17 988.14 cm-1 View
- 18 1027.49 cm-1 View
- 19 1079.73 cm-1 View
- 20 1128.12 cm-1 View
- 21 1177.53 cm-1 View
- 22 1295.72 cm-1 View
- 23 1322.48 cm-1 View
- 24 1515.52 cm-1 View
- 25 1535.81 cm-1 View
- 26 1764.75 cm-1 View
- 27 1769.09 cm-1 View
- 28 3055.27 cm-1 View
- 29 3060.64 cm-1 View
- 30 3069.72 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 |