2-chloroacetic 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 | 142.53 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 152.45 | 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 | 39.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 73.04 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.41 | J mol-1 K-1 |
| Rotational | 109.92 | J mol-1 K-1 |
| Vibrational | 22.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 297.85 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -419.03 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.36 eV View
- 2 -552.77 eV View
- 3 -551.45 eV View
- 4 -304.54 eV View
- 5 -303.39 eV View
- 6 -281.61 eV View
- 7 -212.02 eV View
- 8 -211.88 eV View
- 9 -211.87 eV View
- 10 -38.10 eV View
- 11 -34.98 eV View
- 12 -30.03 eV View
- 13 -25.00 eV View
- 14 -20.43 eV View
- 15 -18.60 eV View
- 16 -17.32 eV View
- 17 -15.44 eV View
- 18 -14.29 eV View
- 19 -13.49 eV View
- 20 -12.81 eV View
- 21 -11.34 eV View
- 22 -10.85 eV View
- 23 -9.53 eV View
- 24 -9.46 eV View
- 25 7.95 eV View
- 26 9.53 eV View
- 27 15.54 eV View
- 28 16.58 eV View
- 29 17.31 eV View
- 30 17.49 eV View
- 31 22.18 eV View
- 32 26.74 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 14.46 cm-1 View
- 2 254.97 cm-1 View
- 3 403.36 cm-1 View
- 4 404.37 cm-1 View
- 5 538.48 cm-1 View
- 6 551.49 cm-1 View
- 7 737.34 cm-1 View
- 8 905.83 cm-1 View
- 9 946.56 cm-1 View
- 10 1088.54 cm-1 View
- 11 1244.01 cm-1 View
- 12 1322.09 cm-1 View
- 13 1345.29 cm-1 View
- 14 1442.72 cm-1 View
- 15 1980.41 cm-1 View
- 16 2993.87 cm-1 View
- 17 3055.77 cm-1 View
- 18 3850.98 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 |