(2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
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 | 177.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 187.67 | 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 | 110.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 143.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.78 | J mol-1 K-1 |
| Rotational | 126.83 | J mol-1 K-1 |
| Vibrational | 119.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 419.82 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1302.85 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.03 eV View
- 2 -707.15 eV View
- 3 -707.10 eV View
- 4 -707.04 eV View
- 5 -707.01 eV View
- 6 -706.92 eV View
- 7 -553.40 eV View
- 8 -307.48 eV View
- 9 -307.11 eV View
- 10 -304.91 eV View
- 11 -281.28 eV View
- 12 -211.69 eV View
- 13 -211.54 eV View
- 14 -211.53 eV View
- 15 -44.21 eV View
- 16 -43.72 eV View
- 17 -41.42 eV View
- 18 -41.32 eV View
- 19 -41.26 eV View
- 20 -37.49 eV View
- 21 -29.59 eV View
- 22 -25.72 eV View
- 23 -23.61 eV View
- 24 -21.51 eV View
- 25 -20.09 eV View
- 26 -19.17 eV View
- 27 -18.63 eV View
- 28 -18.37 eV View
- 29 -17.99 eV View
- 30 -17.87 eV View
- 31 -15.50 eV View
- 32 -14.85 eV View
- 33 -14.37 eV View
- 34 -14.23 eV View
- 35 -14.04 eV View
- 36 -13.36 eV View
- 37 -13.25 eV View
- 38 -13.10 eV View
- 39 -12.90 eV View
- 40 -12.88 eV View
- 41 -12.74 eV View
- 42 -11.87 eV View
- 43 -10.92 eV View
- 44 -10.55 eV View
- 45 -10.21 eV View
- 46 9.26 eV View
- 47 12.26 eV View
- 48 14.14 eV View
- 49 14.72 eV View
- 50 15.34 eV View
- 51 15.94 eV View
- 52 16.61 eV View
- 53 17.38 eV View
- 54 17.90 eV View
- 55 18.23 eV View
- 56 19.99 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 40.59 cm-1 View
- 2 45.51 cm-1 View
- 3 97.22 cm-1 View
- 4 166.39 cm-1 View
- 5 174.83 cm-1 View
- 6 243.93 cm-1 View
- 7 274.22 cm-1 View
- 8 339.37 cm-1 View
- 9 376.38 cm-1 View
- 10 443.65 cm-1 View
- 11 482.90 cm-1 View
- 12 504.78 cm-1 View
- 13 531.22 cm-1 View
- 14 608.21 cm-1 View
- 15 709.66 cm-1 View
- 16 759.11 cm-1 View
- 17 932.44 cm-1 View
- 18 980.79 cm-1 View
- 19 997.60 cm-1 View
- 20 1133.86 cm-1 View
- 21 1148.34 cm-1 View
- 22 1185.98 cm-1 View
- 23 1280.94 cm-1 View
- 24 1389.48 cm-1 View
- 25 1467.21 cm-1 View
- 26 1554.59 cm-1 View
- 27 1567.27 cm-1 View
- 28 1574.81 cm-1 View
- 29 2819.24 cm-1 View
- 30 2896.19 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 |