2-oxopropanoic 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 | 198.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 207.93 | 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 | 64.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.57 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 110.75 | J mol-1 K-1 |
| Vibrational | 66.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 342.30 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -537.94 | kJ mol-1 |
Molecular Orbitals
- 1 -553.09 eV View
- 2 -552.74 eV View
- 3 -551.59 eV View
- 4 -304.18 eV View
- 5 -303.74 eV View
- 6 -301.33 eV View
- 7 -38.18 eV View
- 8 -37.14 eV View
- 9 -34.97 eV View
- 10 -26.93 eV View
- 11 -22.94 eV View
- 12 -19.81 eV View
- 13 -17.87 eV View
- 14 -16.16 eV View
- 15 -16.04 eV View
- 16 -14.86 eV View
- 17 -14.68 eV View
- 18 -14.27 eV View
- 19 -12.98 eV View
- 20 -12.00 eV View
- 21 -11.37 eV View
- 22 -9.54 eV View
- 23 -8.81 eV View
- 24 5.70 eV View
- 25 9.90 eV View
- 26 14.69 eV View
- 27 16.43 eV View
- 28 17.62 eV View
- 29 18.62 eV View
- 30 19.12 eV View
- 31 19.54 eV View
- 32 20.96 eV View
- 33 25.85 eV View
- 34 28.39 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 23.71 cm-1 View
- 2 116.63 cm-1 View
- 3 245.64 cm-1 View
- 4 359.30 cm-1 View
- 5 402.46 cm-1 View
- 6 454.08 cm-1 View
- 7 528.75 cm-1 View
- 8 573.49 cm-1 View
- 9 703.18 cm-1 View
- 10 802.76 cm-1 View
- 11 991.79 cm-1 View
- 12 994.17 cm-1 View
- 13 1216.68 cm-1 View
- 14 1316.52 cm-1 View
- 15 1366.71 cm-1 View
- 16 1378.71 cm-1 View
- 17 1392.10 cm-1 View
- 18 1438.08 cm-1 View
- 19 1980.98 cm-1 View
- 20 1987.17 cm-1 View
- 21 3073.25 cm-1 View
- 22 3087.40 cm-1 View
- 23 3171.49 cm-1 View
- 24 3873.24 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.88 | kJ mol-1 |
| Polar Solvation Energy | -28.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.00 | kJ mol-1 |
| Surface Area | 93.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.74 | Debye |