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 | 197.61 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 207.53 | 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 | 64.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.73 | 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 | 63.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -546.39 | kJ mol-1 |
Molecular Orbitals
- 1 -552.93 eV View
- 2 -552.61 eV View
- 3 -551.47 eV View
- 4 -304.32 eV View
- 5 -303.60 eV View
- 6 -301.23 eV View
- 7 -38.19 eV View
- 8 -36.93 eV View
- 9 -34.91 eV View
- 10 -26.92 eV View
- 11 -23.27 eV View
- 12 -19.03 eV View
- 13 -17.35 eV View
- 14 -16.35 eV View
- 15 -16.05 eV View
- 16 -15.49 eV View
- 17 -14.55 eV View
- 18 -14.22 eV View
- 19 -13.14 eV View
- 20 -11.77 eV View
- 21 -10.79 eV View
- 22 -9.74 eV View
- 23 -8.80 eV View
- 24 7.09 eV View
- 25 8.01 eV View
- 26 14.83 eV View
- 27 17.25 eV View
- 28 17.66 eV View
- 29 18.70 eV View
- 30 19.30 eV View
- 31 20.16 eV View
- 32 21.16 eV View
- 33 26.43 eV View
- 34 26.94 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 47.52 cm-1 View
- 2 116.80 cm-1 View
- 3 241.40 cm-1 View
- 4 254.56 cm-1 View
- 5 373.82 cm-1 View
- 6 509.63 cm-1 View
- 7 527.81 cm-1 View
- 8 626.27 cm-1 View
- 9 712.89 cm-1 View
- 10 806.69 cm-1 View
- 11 990.47 cm-1 View
- 12 998.36 cm-1 View
- 13 1209.90 cm-1 View
- 14 1246.60 cm-1 View
- 15 1368.64 cm-1 View
- 16 1383.89 cm-1 View
- 17 1392.88 cm-1 View
- 18 1434.71 cm-1 View
- 19 1974.09 cm-1 View
- 20 1995.78 cm-1 View
- 21 3077.54 cm-1 View
- 22 3086.24 cm-1 View
- 23 3173.27 cm-1 View
- 24 3843.90 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.71 | kJ mol-1 |
| Polar Solvation Energy | -25.10 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.38 | kJ mol-1 |
| Surface Area | 100.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.15 | Debye |