(2s)-2-hydroxypropanoic 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 | 259.41 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 269.32 | 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 | 74.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.63 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 111.33 | J mol-1 K-1 |
| Vibrational | 66.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 342.86 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -604.51 | kJ mol-1 |
Molecular Orbitals
- 1 -552.38 eV View
- 2 -551.95 eV View
- 3 -550.96 eV View
- 4 -303.77 eV View
- 5 -302.95 eV View
- 6 -301.10 eV View
- 7 -37.75 eV View
- 8 -36.14 eV View
- 9 -34.56 eV View
- 10 -27.23 eV View
- 11 -23.45 eV View
- 12 -19.97 eV View
- 13 -18.76 eV View
- 14 -16.54 eV View
- 15 -16.44 eV View
- 16 -14.76 eV View
- 17 -14.46 eV View
- 18 -14.33 eV View
- 19 -13.27 eV View
- 20 -12.55 eV View
- 21 -11.78 eV View
- 22 -11.18 eV View
- 23 -9.24 eV View
- 24 -8.73 eV View
- 25 8.39 eV View
- 26 14.15 eV View
- 27 15.48 eV View
- 28 16.61 eV View
- 29 17.09 eV View
- 30 18.00 eV View
- 31 18.83 eV View
- 32 19.67 eV View
- 33 19.72 eV View
- 34 20.49 eV View
- 35 22.79 eV View
- 36 27.62 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 34.51 cm-1 View
- 2 177.85 cm-1 View
- 3 248.31 cm-1 View
- 4 320.47 cm-1 View
- 5 351.87 cm-1 View
- 6 449.60 cm-1 View
- 7 468.02 cm-1 View
- 8 485.22 cm-1 View
- 9 526.62 cm-1 View
- 10 701.99 cm-1 View
- 11 834.56 cm-1 View
- 12 969.56 cm-1 View
- 13 1024.21 cm-1 View
- 14 1054.61 cm-1 View
- 15 1104.67 cm-1 View
- 16 1217.66 cm-1 View
- 17 1303.55 cm-1 View
- 18 1328.22 cm-1 View
- 19 1375.51 cm-1 View
- 20 1395.28 cm-1 View
- 21 1404.17 cm-1 View
- 22 1407.92 cm-1 View
- 23 1426.97 cm-1 View
- 24 1984.27 cm-1 View
- 25 2898.62 cm-1 View
- 26 3081.74 cm-1 View
- 27 3089.40 cm-1 View
- 28 3180.37 cm-1 View
- 29 3871.79 cm-1 View
- 30 3876.06 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -21.99 | kJ mol-1 |
| Polar Solvation Energy | -32.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.95 | kJ mol-1 |
| Surface Area | 98.25 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.05 | Debye |