2,2-dichloroacetic acid
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 | 123.27 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 133.19 | 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 | 63.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 96.74 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.25 | J mol-1 K-1 |
| Rotational | 117.60 | J mol-1 K-1 |
| Vibrational | 68.23 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.09 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -423.67 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.96 eV View
- 2 -2820.94 eV View
- 3 -553.33 eV View
- 4 -552.33 eV View
- 5 -305.12 eV View
- 6 -304.93 eV View
- 7 -282.17 eV View
- 8 -282.15 eV View
- 9 -212.58 eV View
- 10 -212.56 eV View
- 11 -212.42 eV View
- 12 -212.42 eV View
- 13 -212.40 eV View
- 14 -212.40 eV View
- 15 -38.63 eV View
- 16 -35.59 eV View
- 17 -31.76 eV View
- 18 -28.17 eV View
- 19 -24.48 eV View
- 20 -20.82 eV View
- 21 -19.14 eV View
- 22 -16.69 eV View
- 23 -16.14 eV View
- 24 -14.87 eV View
- 25 -13.96 eV View
- 26 -13.50 eV View
- 27 -11.99 eV View
- 28 -11.57 eV View
- 29 -11.30 eV View
- 30 -10.73 eV View
- 31 -10.11 eV View
- 32 -9.82 eV View
- 33 6.59 eV View
- 34 8.70 eV View
- 35 11.10 eV View
- 36 14.69 eV View
- 37 15.26 eV View
- 38 16.58 eV View
- 39 21.40 eV View
- 40 26.30 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 21.11 cm-1 View
- 2 171.75 cm-1 View
- 3 210.67 cm-1 View
- 4 257.30 cm-1 View
- 5 407.20 cm-1 View
- 6 413.04 cm-1 View
- 7 540.41 cm-1 View
- 8 594.29 cm-1 View
- 9 726.42 cm-1 View
- 10 756.14 cm-1 View
- 11 958.55 cm-1 View
- 12 1152.34 cm-1 View
- 13 1182.07 cm-1 View
- 14 1314.24 cm-1 View
- 15 1430.94 cm-1 View
- 16 1994.87 cm-1 View
- 17 2952.21 cm-1 View
- 18 3868.72 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 |