2,3,6-trifluorophenol
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 | 233.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 243.79 | 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 | 98.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 132.18 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.07 | J mol-1 K-1 |
| Rotational | 123.60 | J mol-1 K-1 |
| Vibrational | 74.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 369.06 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -620.71 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 124.65 cm-1 View
- 2 133.23 cm-1 View
- 3 245.76 cm-1 View
- 4 304.59 cm-1 View
- 5 332.26 cm-1 View
- 6 346.20 cm-1 View
- 7 353.89 cm-1 View
- 8 363.22 cm-1 View
- 9 460.70 cm-1 View
- 10 494.33 cm-1 View
- 11 521.34 cm-1 View
- 12 629.30 cm-1 View
- 13 645.80 cm-1 View
- 14 761.33 cm-1 View
- 15 765.00 cm-1 View
- 16 818.54 cm-1 View
- 17 864.14 cm-1 View
- 18 980.89 cm-1 View
- 19 1101.11 cm-1 View
- 20 1133.34 cm-1 View
- 21 1247.09 cm-1 View
- 22 1269.29 cm-1 View
- 23 1316.01 cm-1 View
- 24 1448.22 cm-1 View
- 25 1507.19 cm-1 View
- 26 1582.30 cm-1 View
- 27 1714.14 cm-1 View
- 28 1745.87 cm-1 View
- 29 1794.13 cm-1 View
- 30 1830.23 cm-1 View
- 31 3055.69 cm-1 View
- 32 3071.06 cm-1 View
- 33 3879.44 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 |