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 | 138.27 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 148.19 | 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 | 56.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 90.10 | 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 | 60.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 335.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -727.98 | 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 -35.27 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 -14.49 eV View
- 18 -14.08 eV View
- 19 -12.98 eV View
- 20 -11.31 eV View
- 21 -10.41 eV View
- 22 -9.83 eV View
- 23 -9.42 eV View
- 24 5.62 eV View
- 25 10.15 eV View
- 26 13.74 eV View
- 27 15.84 eV View
- 28 17.00 eV View
- 29 19.13 eV View
- 30 20.86 eV View
- 31 25.59 eV View
- 32 28.02 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 13.13 cm-1 View
- 2 244.82 cm-1 View
- 3 368.23 cm-1 View
- 4 392.47 cm-1 View
- 5 443.19 cm-1 View
- 6 517.82 cm-1 View
- 7 529.22 cm-1 View
- 8 545.69 cm-1 View
- 9 760.12 cm-1 View
- 10 808.66 cm-1 View
- 11 1256.19 cm-1 View
- 12 1316.79 cm-1 View
- 13 1388.32 cm-1 View
- 14 1481.17 cm-1 View
- 15 1963.81 cm-1 View
- 16 1999.12 cm-1 View
- 17 3839.60 cm-1 View
- 18 3867.04 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -30.89 | kJ mol-1 |
| Polar Solvation Energy | -35.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 4.81 | kJ mol-1 |
| Surface Area | 94.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.04 | Debye |