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 | 218.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 228.90 | 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 | 113.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 146.86 | 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 | 97.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 403.86 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -164.81 | 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 -37.26 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 89.36 cm-1 View
- 2 136.79 cm-1 View
- 3 186.13 cm-1 View
- 4 187.44 cm-1 View
- 5 196.33 cm-1 View
- 6 290.90 cm-1 View
- 7 306.79 cm-1 View
- 8 347.82 cm-1 View
- 9 368.30 cm-1 View
- 10 376.94 cm-1 View
- 11 423.78 cm-1 View
- 12 515.70 cm-1 View
- 13 557.90 cm-1 View
- 14 563.51 cm-1 View
- 15 733.42 cm-1 View
- 16 744.49 cm-1 View
- 17 786.99 cm-1 View
- 18 896.20 cm-1 View
- 19 928.58 cm-1 View
- 20 945.83 cm-1 View
- 21 1078.04 cm-1 View
- 22 1150.93 cm-1 View
- 23 1207.13 cm-1 View
- 24 1288.35 cm-1 View
- 25 1396.50 cm-1 View
- 26 1425.71 cm-1 View
- 27 1545.53 cm-1 View
- 28 1602.98 cm-1 View
- 29 1768.71 cm-1 View
- 30 1773.12 cm-1 View
- 31 3055.97 cm-1 View
- 32 3059.06 cm-1 View
- 33 3855.76 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 |