Trifluoromethylbenzene
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 | 292.24 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 302.15 | 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 | 99.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 132.51 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 123.09 | J mol-1 K-1 |
| Vibrational | 84.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 378.73 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -564.20 | kJ mol-1 |
Molecular Orbitals
- 1 -706.18 eV View
- 2 -706.07 eV View
- 3 -706.07 eV View
- 4 -306.55 eV View
- 5 -300.96 eV View
- 6 -300.83 eV View
- 7 -300.83 eV View
- 8 -300.71 eV View
- 9 -300.65 eV View
- 10 -300.64 eV View
- 11 -43.48 eV View
- 12 -40.56 eV View
- 13 -40.50 eV View
- 14 -30.43 eV View
- 15 -27.13 eV View
- 16 -26.57 eV View
- 17 -23.19 eV View
- 18 -21.52 eV View
- 19 -20.61 eV View
- 20 -18.95 eV View
- 21 -17.64 eV View
- 22 -17.64 eV View
- 23 -17.32 eV View
- 24 -15.80 eV View
- 25 -15.59 eV View
- 26 -15.05 eV View
- 27 -13.83 eV View
- 28 -13.61 eV View
- 29 -13.26 eV View
- 30 -12.88 eV View
- 31 -12.66 eV View
- 32 -12.40 eV View
- 33 -12.16 eV View
- 34 -12.08 eV View
- 35 -10.95 eV View
- 36 -8.24 eV View
- 37 -8.17 eV View
- 38 6.40 eV View
- 39 6.82 eV View
- 40 12.75 eV View
- 41 14.69 eV View
- 42 14.88 eV View
- 43 16.47 eV View
- 44 17.05 eV View
- 45 17.11 eV View
- 46 18.36 eV View
- 47 19.04 eV View
- 48 19.31 eV View
- 49 19.87 eV View
- 50 23.07 eV View
- 51 23.40 eV View
- 52 23.83 eV View
- 53 24.51 eV View
- 54 29.29 eV View
- 55 30.63 eV 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 |