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 | 197.62 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 207.54 | 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 | 64.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.72 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.59 | J mol-1 K-1 |
| Rotational | 110.85 | J mol-1 K-1 |
| Vibrational | 63.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.73 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -546.50 | kJ mol-1 |
Molecular Orbitals
- 1 -552.93 eV View
- 2 -552.62 eV View
- 3 -551.46 eV View
- 4 -304.32 eV View
- 5 -303.60 eV View
- 6 -301.23 eV View
- 7 -38.20 eV View
- 8 -36.93 eV View
- 9 -34.91 eV View
- 10 -26.92 eV View
- 11 -23.27 eV View
- 12 -19.04 eV View
- 13 -17.34 eV View
- 14 -16.35 eV View
- 15 -16.04 eV View
- 16 -15.50 eV View
- 17 -14.55 eV View
- 18 -14.22 eV View
- 19 -13.14 eV View
- 20 -11.78 eV View
- 21 -10.79 eV View
- 22 -9.73 eV View
- 23 -8.80 eV View
- 24 7.08 eV View
- 25 8.02 eV View
- 26 14.81 eV View
- 27 17.32 eV View
- 28 17.65 eV View
- 29 18.69 eV View
- 30 19.29 eV View
- 31 20.18 eV View
- 32 21.10 eV View
- 33 26.53 eV View
- 34 26.87 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 45.93 cm-1 View
- 2 118.70 cm-1 View
- 3 241.12 cm-1 View
- 4 254.63 cm-1 View
- 5 373.77 cm-1 View
- 6 510.31 cm-1 View
- 7 529.86 cm-1 View
- 8 625.17 cm-1 View
- 9 712.38 cm-1 View
- 10 807.11 cm-1 View
- 11 990.64 cm-1 View
- 12 996.22 cm-1 View
- 13 1210.52 cm-1 View
- 14 1246.54 cm-1 View
- 15 1368.39 cm-1 View
- 16 1385.16 cm-1 View
- 17 1391.23 cm-1 View
- 18 1435.19 cm-1 View
- 19 1974.65 cm-1 View
- 20 1995.85 cm-1 View
- 21 3078.36 cm-1 View
- 22 3086.70 cm-1 View
- 23 3173.73 cm-1 View
- 24 3843.95 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.11 | kJ mol-1 |
| Polar Solvation Energy | -24.92 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.84 | kJ mol-1 |
| Surface Area | 99.17 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.07 | Debye |