1,2,3-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 | 201.47 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 211.38 | 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 | 95.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.51 | J mol-1 K-1 |
| Rotational | 127.33 | J mol-1 K-1 |
| Vibrational | 79.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 380.33 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 23.92 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.77 eV View
- 2 -2820.66 eV View
- 3 -2820.66 eV View
- 4 -302.70 eV View
- 5 -302.67 eV View
- 6 -302.67 eV View
- 7 -301.35 eV View
- 8 -301.34 eV View
- 9 -301.30 eV View
- 10 -281.91 eV View
- 11 -281.82 eV View
- 12 -281.82 eV View
- 13 -212.33 eV View
- 14 -212.24 eV View
- 15 -212.24 eV View
- 16 -212.16 eV View
- 17 -212.16 eV View
- 18 -212.08 eV View
- 19 -212.08 eV View
- 20 -212.07 eV View
- 21 -212.07 eV View
- 22 -32.46 eV View
- 23 -30.39 eV View
- 24 -29.49 eV View
- 25 -28.46 eV View
- 26 -25.65 eV View
- 27 -25.42 eV View
- 28 -21.33 eV View
- 29 -21.25 eV View
- 30 -17.95 eV View
- 31 -17.46 eV View
- 32 -15.91 eV View
- 33 -15.19 eV View
- 34 -14.94 eV View
- 35 -14.74 eV View
- 36 -13.15 eV View
- 37 -13.00 eV View
- 38 -12.62 eV View
- 39 -11.79 eV View
- 40 -10.98 eV View
- 41 -10.96 eV View
- 42 -10.79 eV View
- 43 -10.36 eV View
- 44 -7.95 eV View
- 45 -7.89 eV View
- 46 6.00 eV View
- 47 6.01 eV View
- 48 9.46 eV View
- 49 11.95 eV View
- 50 12.34 eV View
- 51 12.87 eV View
- 52 15.77 eV View
- 53 17.80 eV View
- 54 18.64 eV View
- 55 21.54 eV View
- 56 21.55 eV View
- 57 22.64 eV View
- 58 22.75 eV View
- 59 28.05 eV View
- 60 29.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 79.88 cm-1 View
- 2 174.39 cm-1 View
- 3 185.15 cm-1 View
- 4 187.53 cm-1 View
- 5 246.65 cm-1 View
- 6 337.77 cm-1 View
- 7 391.47 cm-1 View
- 8 463.92 cm-1 View
- 9 472.88 cm-1 View
- 10 509.78 cm-1 View
- 11 526.66 cm-1 View
- 12 727.94 cm-1 View
- 13 729.99 cm-1 View
- 14 779.61 cm-1 View
- 15 820.07 cm-1 View
- 16 928.18 cm-1 View
- 17 1003.96 cm-1 View
- 18 1034.12 cm-1 View
- 19 1104.11 cm-1 View
- 20 1140.28 cm-1 View
- 21 1160.45 cm-1 View
- 22 1294.29 cm-1 View
- 23 1318.58 cm-1 View
- 24 1523.74 cm-1 View
- 25 1527.38 cm-1 View
- 26 1765.71 cm-1 View
- 27 1766.37 cm-1 View
- 28 3054.13 cm-1 View
- 29 3061.67 cm-1 View
- 30 3073.99 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 |