2,2,2-trifluoroacetic 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 | 116.64 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 126.56 | 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 | 64.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.81 | J mol-1 K-1 |
| Rotational | 114.19 | J mol-1 K-1 |
| Vibrational | 59.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1020.05 | kJ mol-1 |
Molecular Orbitals
- 1 -707.05 eV View
- 2 -707.05 eV View
- 3 -707.04 eV View
- 4 -553.39 eV View
- 5 -552.57 eV View
- 6 -307.49 eV View
- 7 -305.22 eV View
- 8 -44.24 eV View
- 9 -41.32 eV View
- 10 -41.30 eV View
- 11 -38.79 eV View
- 12 -35.79 eV View
- 13 -25.36 eV View
- 14 -21.15 eV View
- 15 -19.25 eV View
- 16 -18.49 eV View
- 17 -18.20 eV View
- 18 -16.77 eV View
- 19 -15.55 eV View
- 20 -15.00 eV View
- 21 -14.27 eV View
- 22 -14.23 eV View
- 23 -13.38 eV View
- 24 -12.92 eV View
- 25 -12.91 eV View
- 26 -12.39 eV View
- 27 -10.44 eV View
- 28 -9.99 eV View
- 29 7.05 eV View
- 30 13.35 eV View
- 31 14.38 eV View
- 32 16.23 eV View
- 33 17.43 eV View
- 34 18.18 eV View
- 35 20.06 eV View
- 36 26.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 36.52 cm-1 View
- 2 231.48 cm-1 View
- 3 252.45 cm-1 View
- 4 366.01 cm-1 View
- 5 392.61 cm-1 View
- 6 464.73 cm-1 View
- 7 504.53 cm-1 View
- 8 547.39 cm-1 View
- 9 573.49 cm-1 View
- 10 702.77 cm-1 View
- 11 815.60 cm-1 View
- 12 1260.77 cm-1 View
- 13 1373.89 cm-1 View
- 14 1438.13 cm-1 View
- 15 1557.93 cm-1 View
- 16 1570.71 cm-1 View
- 17 1994.99 cm-1 View
- 18 3845.01 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 |