3-amino-3-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 | 247.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 257.00 | 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 | 78.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.99 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.55 | J mol-1 K-1 |
| Rotational | 115.34 | J mol-1 K-1 |
| Vibrational | 76.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 358.85 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -548.36 | kJ mol-1 |
Molecular Orbitals
- 1 -552.33 eV View
- 2 -551.19 eV View
- 3 -551.06 eV View
- 4 -417.52 eV View
- 5 -304.28 eV View
- 6 -303.81 eV View
- 7 -301.91 eV View
- 8 -37.88 eV View
- 9 -36.22 eV View
- 10 -34.66 eV View
- 11 -30.88 eV View
- 12 -27.28 eV View
- 13 -21.25 eV View
- 14 -19.37 eV View
- 15 -17.89 eV View
- 16 -17.24 eV View
- 17 -16.36 eV View
- 18 -15.98 eV View
- 19 -15.26 eV View
- 20 -14.39 eV View
- 21 -13.53 eV View
- 22 -12.63 eV View
- 23 -12.42 eV View
- 24 -9.68 eV View
- 25 -9.48 eV View
- 26 -9.26 eV View
- 27 -8.73 eV View
- 28 8.14 eV View
- 29 8.20 eV View
- 30 14.90 eV View
- 31 15.92 eV View
- 32 17.34 eV View
- 33 17.68 eV View
- 34 17.91 eV View
- 35 19.22 eV View
- 36 19.65 eV View
- 37 21.03 eV View
- 38 22.17 eV View
- 39 27.01 eV View
- 40 27.38 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -28.44 | kJ mol-1 |
| Polar Solvation Energy | -42.12 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.71 | kJ mol-1 |
| Surface Area | 104.68 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.38 | Debye |