(3s,4r)-3,4,5-trihydroxypentanal
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 | 425.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 434.96 | 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 | 130.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 163.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 123.27 | J mol-1 K-1 |
| Vibrational | 126.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 419.24 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -755.79 | kJ mol-1 |
Molecular Orbitals
- 1 -552.28 eV View
- 2 -551.42 eV View
- 3 -551.41 eV View
- 4 -551.09 eV View
- 5 -302.94 eV View
- 6 -302.36 eV View
- 7 -302.25 eV View
- 8 -301.91 eV View
- 9 -301.16 eV View
- 10 -36.61 eV View
- 11 -36.06 eV View
- 12 -35.59 eV View
- 13 -35.13 eV View
- 14 -27.57 eV View
- 15 -25.92 eV View
- 16 -23.07 eV View
- 17 -21.49 eV View
- 18 -20.08 eV View
- 19 -17.57 eV View
- 20 -17.48 eV View
- 21 -17.17 eV View
- 22 -16.42 eV View
- 23 -15.58 eV View
- 24 -15.17 eV View
- 25 -14.81 eV View
- 26 -14.08 eV View
- 27 -13.93 eV View
- 28 -13.03 eV View
- 29 -12.67 eV View
- 30 -11.80 eV View
- 31 -11.54 eV View
- 32 -10.73 eV View
- 33 -10.69 eV View
- 34 -9.92 eV View
- 35 -9.38 eV View
- 36 -8.66 eV View
- 37 7.73 eV View
- 38 13.56 eV View
- 39 14.45 eV View
- 40 15.72 eV View
- 41 16.38 eV View
- 42 16.89 eV View
- 43 17.46 eV View
- 44 17.64 eV View
- 45 18.25 eV View
- 46 18.42 eV View
- 47 18.97 eV View
- 48 19.26 eV View
- 49 19.53 eV View
- 50 20.09 eV View
- 51 20.79 eV View
- 52 21.55 eV View
- 53 21.69 eV View
- 54 22.06 eV View
- 55 26.55 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 47.57 cm-1 View
- 2 72.73 cm-1 View
- 3 96.20 cm-1 View
- 4 106.10 cm-1 View
- 5 199.91 cm-1 View
- 6 212.73 cm-1 View
- 7 307.57 cm-1 View
- 8 335.21 cm-1 View
- 9 357.31 cm-1 View
- 10 372.27 cm-1 View
- 11 419.88 cm-1 View
- 12 445.02 cm-1 View
- 13 458.99 cm-1 View
- 14 524.83 cm-1 View
- 15 583.09 cm-1 View
- 16 674.35 cm-1 View
- 17 754.26 cm-1 View
- 18 901.52 cm-1 View
- 19 950.21 cm-1 View
- 20 999.20 cm-1 View
- 21 1034.27 cm-1 View
- 22 1055.06 cm-1 View
- 23 1072.58 cm-1 View
- 24 1085.11 cm-1 View
- 25 1092.52 cm-1 View
- 26 1111.22 cm-1 View
- 27 1116.30 cm-1 View
- 28 1140.90 cm-1 View
- 29 1191.31 cm-1 View
- 30 1216.40 cm-1 View
- 31 1257.81 cm-1 View
- 32 1299.30 cm-1 View
- 33 1334.29 cm-1 View
- 34 1337.67 cm-1 View
- 35 1368.30 cm-1 View
- 36 1378.76 cm-1 View
- 37 1381.55 cm-1 View
- 38 1385.52 cm-1 View
- 39 1395.69 cm-1 View
- 40 1403.81 cm-1 View
- 41 1977.93 cm-1 View
- 42 2899.30 cm-1 View
- 43 2907.59 cm-1 View
- 44 2933.47 cm-1 View
- 45 2934.26 cm-1 View
- 46 2943.16 cm-1 View
- 47 3021.31 cm-1 View
- 48 3027.74 cm-1 View
- 49 3864.91 cm-1 View
- 50 3878.85 cm-1 View
- 51 3881.10 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.48 | kJ mol-1 |
| Polar Solvation Energy | -31.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.40 | kJ mol-1 |
| Surface Area | 122.71 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.22 | Debye |