2,2,2-trichloroacetic acid
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 | 98.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 108.30 | 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 | 73.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.19 | J mol-1 K-1 |
| Rotational | 122.10 | J mol-1 K-1 |
| Vibrational | 59.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 353.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -432.72 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.67 eV View
- 2 -2821.51 eV View
- 3 -2821.50 eV View
- 4 -553.63 eV View
- 5 -552.70 eV View
- 6 -306.25 eV View
- 7 -305.53 eV View
- 8 -282.86 eV View
- 9 -282.66 eV View
- 10 -282.65 eV View
- 11 -213.27 eV View
- 12 -213.11 eV View
- 13 -213.11 eV View
- 14 -213.08 eV View
- 15 -213.08 eV View
- 16 -212.91 eV View
- 17 -212.90 eV View
- 18 -212.90 eV View
- 19 -212.90 eV View
- 20 -38.96 eV View
- 21 -35.89 eV View
- 22 -33.13 eV View
- 23 -28.76 eV View
- 24 -28.63 eV View
- 25 -24.40 eV View
- 26 -20.71 eV View
- 27 -18.63 eV View
- 28 -16.76 eV View
- 29 -16.54 eV View
- 30 -14.97 eV View
- 31 -14.86 eV View
- 32 -13.93 eV View
- 33 -12.54 eV View
- 34 -12.33 eV View
- 35 -12.02 eV View
- 36 -11.20 eV View
- 37 -11.13 eV View
- 38 -11.04 eV View
- 39 -10.28 eV View
- 40 -10.12 eV View
- 41 6.22 eV View
- 42 7.90 eV View
- 43 8.53 eV View
- 44 10.70 eV View
- 45 14.21 eV View
- 46 15.96 eV View
- 47 20.90 eV View
- 48 25.88 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 13.48 cm-1 View
- 2 162.28 cm-1 View
- 3 184.72 cm-1 View
- 4 246.56 cm-1 View
- 5 254.89 cm-1 View
- 6 282.86 cm-1 View
- 7 392.26 cm-1 View
- 8 396.38 cm-1 View
- 9 431.76 cm-1 View
- 10 592.16 cm-1 View
- 11 593.63 cm-1 View
- 12 754.15 cm-1 View
- 13 771.30 cm-1 View
- 14 1006.83 cm-1 View
- 15 1321.40 cm-1 View
- 16 1429.42 cm-1 View
- 17 1981.32 cm-1 View
- 18 3850.34 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 |