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 | 123.29 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 133.20 | 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 | 63.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 96.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.25 | J mol-1 K-1 |
| Rotational | 117.61 | J mol-1 K-1 |
| Vibrational | 67.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 354.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -423.69 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 21.58 cm-1 View
- 2 171.88 cm-1 View
- 3 211.96 cm-1 View
- 4 257.76 cm-1 View
- 5 410.34 cm-1 View
- 6 412.96 cm-1 View
- 7 540.57 cm-1 View
- 8 594.34 cm-1 View
- 9 726.31 cm-1 View
- 10 756.08 cm-1 View
- 11 958.48 cm-1 View
- 12 1152.32 cm-1 View
- 13 1181.98 cm-1 View
- 14 1314.95 cm-1 View
- 15 1431.37 cm-1 View
- 16 1994.90 cm-1 View
- 17 2951.78 cm-1 View
- 18 3867.83 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 |