Oxalic 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 | 138.29 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 148.20 | 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 | 56.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.86 | J mol-1 K-1 |
| Rotational | 110.30 | J mol-1 K-1 |
| Vibrational | 59.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 334.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -727.96 | kJ mol-1 |
Molecular Orbitals
- 1 -553.32 eV View
- 2 -553.08 eV View
- 3 -552.31 eV View
- 4 -552.24 eV View
- 5 -305.18 eV View
- 6 -304.89 eV View
- 7 -38.98 eV View
- 8 -38.16 eV View
- 9 -35.72 eV View
- 10 -35.26 eV View
- 11 -24.40 eV View
- 12 -20.48 eV View
- 13 -19.00 eV View
- 14 -16.92 eV View
- 15 -16.35 eV View
- 16 -15.35 eV View
- 17 -14.48 eV View
- 18 -14.08 eV View
- 19 -12.98 eV View
- 20 -11.31 eV View
- 21 -10.41 eV View
- 22 -9.82 eV View
- 23 -9.42 eV View
- 24 5.61 eV View
- 25 10.20 eV View
- 26 13.73 eV View
- 27 15.84 eV View
- 28 17.00 eV View
- 29 19.11 eV View
- 30 20.86 eV View
- 31 25.58 eV View
- 32 28.05 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -25.98 | kJ mol-1 |
| Polar Solvation Energy | -35.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.15 | kJ mol-1 |
| Surface Area | 92.09 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.03 | Debye |