1,1,1,2,2,2-hexafluoroethane
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 | 95.60 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 105.51 | 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 | 71.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 105.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 117.34 | J mol-1 K-1 |
| Vibrational | 61.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 349.28 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1328.31 | kJ mol-1 |
Molecular Orbitals
- 1 -707.50 eV View
- 2 -707.50 eV View
- 3 -707.49 eV View
- 4 -707.49 eV View
- 5 -707.49 eV View
- 6 -707.49 eV View
- 7 -307.77 eV View
- 8 -307.76 eV View
- 9 -44.93 eV View
- 10 -44.35 eV View
- 11 -41.91 eV View
- 12 -41.91 eV View
- 13 -41.69 eV View
- 14 -41.69 eV View
- 15 -26.06 eV View
- 16 -22.01 eV View
- 17 -20.32 eV View
- 18 -19.34 eV View
- 19 -19.34 eV View
- 20 -18.18 eV View
- 21 -18.18 eV View
- 22 -15.98 eV View
- 23 -14.82 eV View
- 24 -14.82 eV View
- 25 -14.63 eV View
- 26 -14.63 eV View
- 27 -13.84 eV View
- 28 -13.79 eV View
- 29 -13.37 eV View
- 30 -13.37 eV View
- 31 -13.36 eV View
- 32 -13.36 eV View
- 33 -10.68 eV View
- 34 13.08 eV View
- 35 13.09 eV View
- 36 13.53 eV View
- 37 17.39 eV View
- 38 17.43 eV View
- 39 18.13 eV View
- 40 18.13 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 63.99 cm-1 View
- 2 227.53 cm-1 View
- 3 227.56 cm-1 View
- 4 353.10 cm-1 View
- 5 353.22 cm-1 View
- 6 353.54 cm-1 View
- 7 463.67 cm-1 View
- 8 464.01 cm-1 View
- 9 568.61 cm-1 View
- 10 568.82 cm-1 View
- 11 642.34 cm-1 View
- 12 814.47 cm-1 View
- 13 1344.52 cm-1 View
- 14 1354.07 cm-1 View
- 15 1594.09 cm-1 View
- 16 1594.21 cm-1 View
- 17 1614.99 cm-1 View
- 18 1615.11 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
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 |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]