1,4-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 | 232.45 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 242.36 | 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 | 69.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 102.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.82 | J mol-1 K-1 |
| Rotational | 117.06 | J mol-1 K-1 |
| Vibrational | 41.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 326.62 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -264.58 | kJ mol-1 |
Molecular Orbitals
- 1 -706.46 eV View
- 2 -706.46 eV View
- 3 -302.37 eV View
- 4 -302.37 eV View
- 5 -300.60 eV View
- 6 -300.59 eV View
- 7 -300.59 eV View
- 8 -300.59 eV View
- 9 -41.33 eV View
- 10 -41.32 eV View
- 11 -30.02 eV View
- 12 -26.65 eV View
- 13 -25.72 eV View
- 14 -21.86 eV View
- 15 -20.76 eV View
- 16 -17.95 eV View
- 17 -17.19 eV View
- 18 -16.64 eV View
- 19 -15.44 eV View
- 20 -15.13 eV View
- 21 -15.09 eV View
- 22 -14.85 eV View
- 23 -14.41 eV View
- 24 -13.16 eV View
- 25 -12.19 eV View
- 26 -11.52 eV View
- 27 -11.30 eV View
- 28 -8.30 eV View
- 29 -6.91 eV View
- 30 6.75 eV View
- 31 7.06 eV View
- 32 13.23 eV View
- 33 14.33 eV View
- 34 15.58 eV View
- 35 16.96 eV View
- 36 18.17 eV View
- 37 18.38 eV View
- 38 19.63 eV View
- 39 22.51 eV View
- 40 23.58 eV View
- 41 23.80 eV View
- 42 23.96 eV View
- 43 28.94 eV View
- 44 30.43 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 139.96 cm-1 View
- 2 352.13 cm-1 View
- 3 364.66 cm-1 View
- 4 376.88 cm-1 View
- 5 460.46 cm-1 View
- 6 494.74 cm-1 View
- 7 522.24 cm-1 View
- 8 648.81 cm-1 View
- 9 668.28 cm-1 View
- 10 804.13 cm-1 View
- 11 847.22 cm-1 View
- 12 884.65 cm-1 View
- 13 978.49 cm-1 View
- 14 993.50 cm-1 View
- 15 1022.25 cm-1 View
- 16 1055.50 cm-1 View
- 17 1133.68 cm-1 View
- 18 1161.67 cm-1 View
- 19 1224.50 cm-1 View
- 20 1296.61 cm-1 View
- 21 1338.05 cm-1 View
- 22 1551.62 cm-1 View
- 23 1602.26 cm-1 View
- 24 1730.44 cm-1 View
- 25 1755.09 cm-1 View
- 26 1831.51 cm-1 View
- 27 3059.92 cm-1 View
- 28 3061.23 cm-1 View
- 29 3072.84 cm-1 View
- 30 3076.39 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 |