2,4,6-trichlorophenol
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 | 219.00 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 228.91 | 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 | 113.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 146.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 174.57 | J mol-1 K-1 |
| Rotational | 131.85 | J mol-1 K-1 |
| Vibrational | 97.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 403.82 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -164.78 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.96 eV View
- 2 -2820.55 eV View
- 3 -2820.44 eV View
- 4 -553.30 eV View
- 5 -303.28 eV View
- 6 -302.53 eV View
- 7 -302.45 eV View
- 8 -302.40 eV View
- 9 -301.62 eV View
- 10 -301.54 eV View
- 11 -282.14 eV View
- 12 -281.70 eV View
- 13 -281.62 eV View
- 14 -212.55 eV View
- 15 -212.40 eV View
- 16 -212.39 eV View
- 17 -212.12 eV View
- 18 -212.04 eV View
- 19 -211.96 eV View
- 20 -211.95 eV View
- 21 -211.88 eV View
- 22 -211.88 eV View
- 23 -37.27 eV View
- 24 -31.93 eV View
- 25 -30.47 eV View
- 26 -30.08 eV View
- 27 -27.67 eV View
- 28 -25.88 eV View
- 29 -25.43 eV View
- 30 -21.66 eV View
- 31 -20.92 eV View
- 32 -19.02 eV View
- 33 -17.92 eV View
- 34 -16.06 eV View
- 35 -15.71 eV View
- 36 -15.53 eV View
- 37 -15.12 eV View
- 38 -13.92 eV View
- 39 -13.39 eV View
- 40 -13.31 eV View
- 41 -12.76 eV View
- 42 -12.54 eV View
- 43 -12.05 eV View
- 44 -11.19 eV View
- 45 -10.75 eV View
- 46 -10.43 eV View
- 47 -10.21 eV View
- 48 -8.15 eV View
- 49 -7.15 eV View
- 50 5.86 eV View
- 51 6.19 eV View
- 52 9.68 eV View
- 53 11.73 eV View
- 54 11.93 eV View
- 55 12.26 eV View
- 56 15.47 eV View
- 57 16.93 eV View
- 58 17.45 eV View
- 59 18.70 eV View
- 60 21.07 eV View
- 61 21.53 eV View
- 62 22.63 eV View
- 63 23.23 eV View
- 64 27.87 eV View
- 65 28.79 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 89.44 cm-1 View
- 2 136.35 cm-1 View
- 3 186.15 cm-1 View
- 4 186.97 cm-1 View
- 5 196.24 cm-1 View
- 6 294.76 cm-1 View
- 7 306.42 cm-1 View
- 8 347.79 cm-1 View
- 9 368.33 cm-1 View
- 10 376.90 cm-1 View
- 11 423.79 cm-1 View
- 12 515.38 cm-1 View
- 13 557.81 cm-1 View
- 14 563.35 cm-1 View
- 15 733.35 cm-1 View
- 16 744.20 cm-1 View
- 17 787.02 cm-1 View
- 18 896.12 cm-1 View
- 19 928.82 cm-1 View
- 20 945.84 cm-1 View
- 21 1077.84 cm-1 View
- 22 1150.71 cm-1 View
- 23 1207.15 cm-1 View
- 24 1289.34 cm-1 View
- 25 1396.71 cm-1 View
- 26 1425.62 cm-1 View
- 27 1545.54 cm-1 View
- 28 1603.00 cm-1 View
- 29 1768.83 cm-1 View
- 30 1773.17 cm-1 View
- 31 3055.88 cm-1 View
- 32 3059.43 cm-1 View
- 33 3855.44 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 |