1,3-difluorobenzene
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 | 232.53 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 242.44 | 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 | 69.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 102.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.82 | J mol-1 K-1 |
| Rotational | 117.71 | J mol-1 K-1 |
| Vibrational | 40.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 326.49 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -264.75 | kJ mol-1 |
Molecular Orbitals
- 1 -706.65 eV View
- 2 -706.65 eV View
- 3 -302.67 eV View
- 4 -302.66 eV View
- 5 -300.78 eV View
- 6 -300.38 eV View
- 7 -300.30 eV View
- 8 -300.29 eV View
- 9 -41.49 eV View
- 10 -41.47 eV View
- 11 -30.01 eV View
- 12 -26.43 eV View
- 13 -25.99 eV View
- 14 -21.56 eV View
- 15 -20.95 eV View
- 16 -18.03 eV View
- 17 -17.21 eV View
- 18 -16.67 eV View
- 19 -15.60 eV View
- 20 -15.23 eV View
- 21 -15.10 eV View
- 22 -14.86 eV View
- 23 -14.43 eV View
- 24 -13.16 eV View
- 25 -11.86 eV View
- 26 -11.67 eV View
- 27 -11.64 eV View
- 28 -7.90 eV View
- 29 -7.28 eV View
- 30 6.84 eV View
- 31 6.99 eV View
- 32 13.23 eV View
- 33 14.16 eV View
- 34 15.93 eV View
- 35 16.70 eV View
- 36 17.98 eV View
- 37 18.70 eV View
- 38 19.52 eV View
- 39 22.74 eV View
- 40 23.18 eV View
- 41 24.00 eV View
- 42 24.09 eV View
- 43 28.95 eV View
- 44 30.40 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 |