(2r)-2,3-dihydroxypropanal
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 | 255.23 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 265.15 | 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 | 73.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 107.15 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 111.84 | J mol-1 K-1 |
| Vibrational | 65.06 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 341.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -541.47 | kJ mol-1 |
Molecular Orbitals
- 1 -552.52 eV View
- 2 -551.56 eV View
- 3 -551.40 eV View
- 4 -302.89 eV View
- 5 -302.41 eV View
- 6 -302.31 eV View
- 7 -36.85 eV View
- 8 -36.00 eV View
- 9 -35.40 eV View
- 10 -26.34 eV View
- 11 -23.21 eV View
- 12 -20.20 eV View
- 13 -18.12 eV View
- 14 -17.29 eV View
- 15 -16.35 eV View
- 16 -15.58 eV View
- 17 -14.76 eV View
- 18 -14.21 eV View
- 19 -12.14 eV View
- 20 -11.99 eV View
- 21 -11.40 eV View
- 22 -11.16 eV View
- 23 -9.81 eV View
- 24 -8.77 eV View
- 25 7.47 eV View
- 26 14.54 eV View
- 27 15.04 eV View
- 28 16.94 eV View
- 29 17.56 eV View
- 30 17.61 eV View
- 31 18.89 eV View
- 32 19.25 eV View
- 33 20.10 eV View
- 34 20.82 eV View
- 35 21.53 eV View
- 36 26.39 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 73.83 cm-1 View
- 2 106.66 cm-1 View
- 3 232.27 cm-1 View
- 4 306.05 cm-1 View
- 5 346.64 cm-1 View
- 6 372.88 cm-1 View
- 7 419.02 cm-1 View
- 8 557.28 cm-1 View
- 9 644.10 cm-1 View
- 10 872.02 cm-1 View
- 11 902.75 cm-1 View
- 12 960.51 cm-1 View
- 13 1020.86 cm-1 View
- 14 1046.76 cm-1 View
- 15 1082.36 cm-1 View
- 16 1135.31 cm-1 View
- 17 1203.59 cm-1 View
- 18 1238.80 cm-1 View
- 19 1322.19 cm-1 View
- 20 1344.50 cm-1 View
- 21 1355.63 cm-1 View
- 22 1374.36 cm-1 View
- 23 1399.54 cm-1 View
- 24 1982.04 cm-1 View
- 25 2902.89 cm-1 View
- 26 2937.53 cm-1 View
- 27 2953.57 cm-1 View
- 28 3022.30 cm-1 View
- 29 3877.57 cm-1 View
- 30 3880.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.99 | kJ mol-1 |
| Polar Solvation Energy | -22.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.92 | kJ mol-1 |
| Surface Area | 93.57 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.60 | Debye |