1,1,1-trifluoropropan-2-one
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 | 176.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 186.07 | 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 | 71.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 104.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.59 | J mol-1 K-1 |
| Rotational | 114.49 | J mol-1 K-1 |
| Vibrational | 72.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 354.99 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -832.13 | kJ mol-1 |
Molecular Orbitals
- 1 -706.61 eV View
- 2 -706.61 eV View
- 3 -706.59 eV View
- 4 -553.31 eV View
- 5 -306.80 eV View
- 6 -303.78 eV View
- 7 -301.48 eV View
- 8 -43.90 eV View
- 9 -40.99 eV View
- 10 -40.97 eV View
- 11 -37.39 eV View
- 12 -27.18 eV View
- 13 -23.99 eV View
- 14 -20.24 eV View
- 15 -18.23 eV View
- 16 -18.11 eV View
- 17 -17.82 eV View
- 18 -15.81 eV View
- 19 -15.65 eV View
- 20 -15.04 eV View
- 21 -14.13 eV View
- 22 -13.95 eV View
- 23 -13.15 eV View
- 24 -13.07 eV View
- 25 -12.64 eV View
- 26 -12.58 eV View
- 27 -12.07 eV View
- 28 -9.31 eV View
- 29 6.76 eV View
- 30 14.18 eV View
- 31 15.04 eV View
- 32 16.13 eV View
- 33 17.42 eV View
- 34 18.60 eV View
- 35 18.82 eV View
- 36 19.06 eV View
- 37 20.36 eV View
- 38 26.87 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 19.15 cm-1 View
- 2 162.08 cm-1 View
- 3 252.87 cm-1 View
- 4 253.84 cm-1 View
- 5 352.03 cm-1 View
- 6 408.72 cm-1 View
- 7 472.66 cm-1 View
- 8 541.51 cm-1 View
- 9 605.43 cm-1 View
- 10 633.66 cm-1 View
- 11 788.59 cm-1 View
- 12 991.92 cm-1 View
- 13 995.37 cm-1 View
- 14 1191.61 cm-1 View
- 15 1365.73 cm-1 View
- 16 1382.77 cm-1 View
- 17 1385.98 cm-1 View
- 18 1392.92 cm-1 View
- 19 1553.21 cm-1 View
- 20 1561.74 cm-1 View
- 21 2005.86 cm-1 View
- 22 3074.64 cm-1 View
- 23 3086.73 cm-1 View
- 24 3170.31 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 |