1,1,2-trifluoroethene 1,1-difluoroethene
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 | 200.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 210.35 | 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 | 108.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 141.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 128.52 | J mol-1 K-1 |
| Vibrational | 192.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 492.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -843.36 | kJ mol-1 |
Molecular Orbitals
- 1 -707.62 eV View
- 2 -707.59 eV View
- 3 -707.15 eV View
- 4 -707.14 eV View
- 5 -706.97 eV View
- 6 -304.67 eV View
- 7 -304.48 eV View
- 8 -302.30 eV View
- 9 -299.75 eV View
- 10 -43.38 eV View
- 11 -42.99 eV View
- 12 -41.76 eV View
- 13 -41.43 eV View
- 14 -41.01 eV View
- 15 -26.74 eV View
- 16 -26.69 eV View
- 17 -20.64 eV View
- 18 -20.27 eV View
- 19 -18.74 eV View
- 20 -17.69 eV View
- 21 -17.46 eV View
- 22 -17.34 eV View
- 23 -17.31 eV View
- 24 -16.70 eV View
- 25 -15.58 eV View
- 26 -14.97 eV View
- 27 -14.20 eV View
- 28 -14.13 eV View
- 29 -14.00 eV View
- 30 -13.72 eV View
- 31 -13.44 eV View
- 32 -13.02 eV View
- 33 -13.01 eV View
- 34 -12.23 eV View
- 35 -8.02 eV View
- 36 -7.58 eV View
- 37 7.99 eV View
- 38 8.49 eV View
- 39 13.31 eV View
- 40 14.47 eV View
- 41 15.62 eV View
- 42 16.37 eV View
- 43 17.77 eV View
- 44 19.14 eV View
- 45 23.16 eV View
- 46 24.24 eV View
- 47 25.49 eV View
- 48 26.58 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 8.91 cm-1 View
- 2 11.93 cm-1 View
- 3 15.71 cm-1 View
- 4 26.09 cm-1 View
- 5 45.12 cm-1 View
- 6 68.88 cm-1 View
- 7 276.50 cm-1 View
- 8 277.35 cm-1 View
- 9 450.30 cm-1 View
- 10 473.91 cm-1 View
- 11 517.43 cm-1 View
- 12 546.42 cm-1 View
- 13 573.34 cm-1 View
- 14 626.23 cm-1 View
- 15 646.67 cm-1 View
- 16 835.78 cm-1 View
- 17 953.34 cm-1 View
- 18 986.91 cm-1 View
- 19 1054.13 cm-1 View
- 20 1123.55 cm-1 View
- 21 1131.81 cm-1 View
- 22 1336.18 cm-1 View
- 23 1548.75 cm-1 View
- 24 1628.80 cm-1 View
- 25 1666.19 cm-1 View
- 26 1941.06 cm-1 View
- 27 1960.54 cm-1 View
- 28 3042.97 cm-1 View
- 29 3146.61 cm-1 View
- 30 3167.48 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 65.61 | kJ mol-1 |
| Polar Solvation Energy | -14.10 | kJ mol-1 |
| Nonpolar Solvation Energy | 79.71 | kJ mol-1 |
| Surface Area | 123.35 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.86 | Debye |