1,1,1-trichloroethane
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 | 129.22 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 139.14 | 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 | 61.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 95.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.64 | J mol-1 K-1 |
| Rotational | 116.47 | J mol-1 K-1 |
| Vibrational | 50.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 336.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -133.37 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.59 eV View
- 2 -2820.59 eV View
- 3 -2820.59 eV View
- 4 -305.54 eV View
- 5 -302.05 eV View
- 6 -281.81 eV View
- 7 -281.81 eV View
- 8 -281.80 eV View
- 9 -212.22 eV View
- 10 -212.22 eV View
- 11 -212.22 eV View
- 12 -212.07 eV View
- 13 -212.06 eV View
- 14 -212.06 eV View
- 15 -212.05 eV View
- 16 -212.05 eV View
- 17 -212.05 eV View
- 18 -32.61 eV View
- 19 -27.93 eV View
- 20 -27.93 eV View
- 21 -26.56 eV View
- 22 -20.17 eV View
- 23 -16.61 eV View
- 24 -16.61 eV View
- 25 -16.12 eV View
- 26 -13.90 eV View
- 27 -13.90 eV View
- 28 -11.49 eV View
- 29 -11.48 eV View
- 30 -10.70 eV View
- 31 -10.44 eV View
- 32 -10.44 eV View
- 33 -10.37 eV View
- 34 8.66 eV View
- 35 9.60 eV View
- 36 9.60 eV View
- 37 17.08 eV View
- 38 18.24 eV View
- 39 18.24 eV View
- 40 19.02 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 155.47 cm-1 View
- 2 219.48 cm-1 View
- 3 219.63 cm-1 View
- 4 321.69 cm-1 View
- 5 324.25 cm-1 View
- 6 324.31 cm-1 View
- 7 523.74 cm-1 View
- 8 633.88 cm-1 View
- 9 634.09 cm-1 View
- 10 1028.30 cm-1 View
- 11 1028.32 cm-1 View
- 12 1179.36 cm-1 View
- 13 1379.54 cm-1 View
- 14 1381.18 cm-1 View
- 15 1381.29 cm-1 View
- 16 3085.26 cm-1 View
- 17 3085.33 cm-1 View
- 18 3175.85 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 |