2-hydroxyacetic acid
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 | 181.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 191.69 | 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 | 51.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.76 | J mol-1 K-1 |
| Rotational | 106.27 | J mol-1 K-1 |
| Vibrational | 42.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 311.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -578.77 | kJ mol-1 |
Molecular Orbitals
- 1 -552.55 eV View
- 2 -552.16 eV View
- 3 -551.12 eV View
- 4 -303.95 eV View
- 5 -302.92 eV View
- 6 -37.86 eV View
- 7 -36.26 eV View
- 8 -34.70 eV View
- 9 -25.58 eV View
- 10 -20.23 eV View
- 11 -18.68 eV View
- 12 -17.75 eV View
- 13 -16.04 eV View
- 14 -14.57 eV View
- 15 -13.88 eV View
- 16 -12.89 eV View
- 17 -12.16 eV View
- 18 -11.28 eV View
- 19 -9.36 eV View
- 20 -8.93 eV View
- 21 8.23 eV View
- 22 14.53 eV View
- 23 16.35 eV View
- 24 16.97 eV View
- 25 17.35 eV View
- 26 18.29 eV View
- 27 19.50 eV View
- 28 22.70 eV View
- 29 27.39 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 64.61 cm-1 View
- 2 276.48 cm-1 View
- 3 324.86 cm-1 View
- 4 440.98 cm-1 View
- 5 464.02 cm-1 View
- 6 517.93 cm-1 View
- 7 637.77 cm-1 View
- 8 905.12 cm-1 View
- 9 911.29 cm-1 View
- 10 1036.57 cm-1 View
- 11 1118.18 cm-1 View
- 12 1304.25 cm-1 View
- 13 1320.74 cm-1 View
- 14 1343.99 cm-1 View
- 15 1372.92 cm-1 View
- 16 1432.25 cm-1 View
- 17 1988.41 cm-1 View
- 18 2951.92 cm-1 View
- 19 3015.74 cm-1 View
- 20 3876.93 cm-1 View
- 21 3888.28 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -24.17 | kJ mol-1 |
| Polar Solvation Energy | -34.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.53 | kJ mol-1 |
| Surface Area | 83.87 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.88 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]