(2r,3s)-2,3,4-trihydroxybutanal
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 | 347.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 357.60 | 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 | 111.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 119.46 | J mol-1 K-1 |
| Vibrational | 107.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 395.20 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -715.33 | kJ mol-1 |
Molecular Orbitals
- 1 -552.43 eV View
- 2 -551.76 eV View
- 3 -551.56 eV View
- 4 -551.32 eV View
- 5 -302.67 eV View
- 6 -302.48 eV View
- 7 -302.40 eV View
- 8 -302.34 eV View
- 9 -36.58 eV View
- 10 -36.18 eV View
- 11 -35.69 eV View
- 12 -35.48 eV View
- 13 -26.78 eV View
- 14 -24.44 eV View
- 15 -22.19 eV View
- 16 -20.24 eV View
- 17 -18.26 eV View
- 18 -17.51 eV View
- 19 -16.97 eV View
- 20 -16.22 eV View
- 21 -15.32 eV View
- 22 -14.87 eV View
- 23 -14.52 eV View
- 24 -13.74 eV View
- 25 -12.73 eV View
- 26 -12.48 eV View
- 27 -11.49 eV View
- 28 -11.28 eV View
- 29 -10.86 eV View
- 30 -10.37 eV View
- 31 -9.28 eV View
- 32 -8.63 eV View
- 33 7.74 eV View
- 34 13.41 eV View
- 35 15.15 eV View
- 36 15.70 eV View
- 37 16.09 eV View
- 38 17.34 eV View
- 39 17.51 eV View
- 40 17.86 eV View
- 41 18.04 eV View
- 42 19.24 eV View
- 43 19.54 eV View
- 44 20.43 eV View
- 45 20.76 eV View
- 46 20.88 eV View
- 47 21.94 eV View
- 48 26.55 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 37.45 cm-1 View
- 2 75.54 cm-1 View
- 3 111.46 cm-1 View
- 4 221.87 cm-1 View
- 5 231.83 cm-1 View
- 6 283.51 cm-1 View
- 7 343.17 cm-1 View
- 8 363.07 cm-1 View
- 9 381.83 cm-1 View
- 10 433.91 cm-1 View
- 11 441.46 cm-1 View
- 12 500.74 cm-1 View
- 13 557.80 cm-1 View
- 14 609.85 cm-1 View
- 15 853.04 cm-1 View
- 16 938.19 cm-1 View
- 17 953.04 cm-1 View
- 18 1019.87 cm-1 View
- 19 1078.28 cm-1 View
- 20 1085.30 cm-1 View
- 21 1101.57 cm-1 View
- 22 1112.83 cm-1 View
- 23 1145.73 cm-1 View
- 24 1192.44 cm-1 View
- 25 1213.06 cm-1 View
- 26 1240.66 cm-1 View
- 27 1286.22 cm-1 View
- 28 1337.24 cm-1 View
- 29 1364.33 cm-1 View
- 30 1376.26 cm-1 View
- 31 1382.10 cm-1 View
- 32 1392.58 cm-1 View
- 33 1403.75 cm-1 View
- 34 1992.27 cm-1 View
- 35 2815.43 cm-1 View
- 36 2907.24 cm-1 View
- 37 2923.08 cm-1 View
- 38 2936.02 cm-1 View
- 39 3027.92 cm-1 View
- 40 3861.84 cm-1 View
- 41 3881.11 cm-1 View
- 42 3897.87 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -21.50 | kJ mol-1 |
| Polar Solvation Energy | -35.92 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.42 | kJ mol-1 |
| Surface Area | 110.52 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.72 | Debye |