(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 | 259.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 269.31 | 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 | 74.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.67 | 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 | 66.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 343.01 | 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 14.16 eV View
- 27 15.49 eV View
- 28 16.60 eV View
- 29 17.09 eV View
- 30 18.01 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 34.39 cm-1 View
- 2 176.61 cm-1 View
- 3 248.46 cm-1 View
- 4 319.52 cm-1 View
- 5 350.25 cm-1 View
- 6 449.09 cm-1 View
- 7 467.05 cm-1 View
- 8 485.34 cm-1 View
- 9 526.58 cm-1 View
- 10 702.09 cm-1 View
- 11 834.62 cm-1 View
- 12 969.57 cm-1 View
- 13 1024.36 cm-1 View
- 14 1054.59 cm-1 View
- 15 1104.71 cm-1 View
- 16 1217.61 cm-1 View
- 17 1303.84 cm-1 View
- 18 1328.13 cm-1 View
- 19 1375.47 cm-1 View
- 20 1395.32 cm-1 View
- 21 1404.09 cm-1 View
- 22 1407.85 cm-1 View
- 23 1426.95 cm-1 View
- 24 1984.18 cm-1 View
- 25 2899.06 cm-1 View
- 26 3081.59 cm-1 View
- 27 3089.51 cm-1 View
- 28 3180.31 cm-1 View
- 29 3871.92 cm-1 View
- 30 3875.96 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -17.35 | kJ mol-1 |
| Polar Solvation Energy | -32.19 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.84 | kJ mol-1 |
| Surface Area | 94.51 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.03 | Debye |