(2r,3s,4r,5r)-5-(hydroxymethyl)oxolane-2,3,4-triol
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 | 440.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 450.20 | 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 | 126.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 159.84 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.24 | J mol-1 K-1 |
| Rotational | 123.67 | J mol-1 K-1 |
| Vibrational | 98.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 393.49 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -932.07 | kJ mol-1 |
Molecular Orbitals
- 1 -551.72 eV View
- 2 -551.60 eV View
- 3 -551.58 eV View
- 4 -551.22 eV View
- 5 -550.81 eV View
- 6 -303.63 eV View
- 7 -302.38 eV View
- 8 -302.17 eV View
- 9 -302.13 eV View
- 10 -302.09 eV View
- 11 -37.79 eV View
- 12 -36.06 eV View
- 13 -35.47 eV View
- 14 -35.05 eV View
- 15 -34.46 eV View
- 16 -26.89 eV View
- 17 -26.24 eV View
- 18 -23.28 eV View
- 19 -21.09 eV View
- 20 -20.39 eV View
- 21 -18.82 eV View
- 22 -17.40 eV View
- 23 -17.09 eV View
- 24 -16.85 eV View
- 25 -16.63 eV View
- 26 -16.08 eV View
- 27 -15.28 eV View
- 28 -14.72 eV View
- 29 -13.95 eV View
- 30 -13.21 eV View
- 31 -12.64 eV View
- 32 -12.33 eV View
- 33 -11.49 eV View
- 34 -11.34 eV View
- 35 -11.14 eV View
- 36 -10.26 eV View
- 37 -9.97 eV View
- 38 -9.73 eV View
- 39 -9.32 eV View
- 40 -9.07 eV View
- 41 12.78 eV View
- 42 13.47 eV View
- 43 14.03 eV View
- 44 14.98 eV View
- 45 16.06 eV View
- 46 16.90 eV View
- 47 17.24 eV View
- 48 17.62 eV View
- 49 17.88 eV View
- 50 18.55 eV View
- 51 18.68 eV View
- 52 18.98 eV View
- 53 19.66 eV View
- 54 19.70 eV View
- 55 20.14 eV View
- 56 20.49 eV View
- 57 21.01 eV View
- 58 21.66 eV View
- 59 21.91 eV View
- 60 22.34 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 7.88 cm-1 View
- 2 70.72 cm-1 View
- 3 81.62 cm-1 View
- 4 177.96 cm-1 View
- 5 212.95 cm-1 View
- 6 328.85 cm-1 View
- 7 340.45 cm-1 View
- 8 385.84 cm-1 View
- 9 388.13 cm-1 View
- 10 410.64 cm-1 View
- 11 432.78 cm-1 View
- 12 443.36 cm-1 View
- 13 472.66 cm-1 View
- 14 535.55 cm-1 View
- 15 586.00 cm-1 View
- 16 596.91 cm-1 View
- 17 738.28 cm-1 View
- 18 834.71 cm-1 View
- 19 871.12 cm-1 View
- 20 898.02 cm-1 View
- 21 938.14 cm-1 View
- 22 968.51 cm-1 View
- 23 1005.76 cm-1 View
- 24 1045.10 cm-1 View
- 25 1051.59 cm-1 View
- 26 1068.62 cm-1 View
- 27 1084.12 cm-1 View
- 28 1102.02 cm-1 View
- 29 1121.79 cm-1 View
- 30 1142.56 cm-1 View
- 31 1175.61 cm-1 View
- 32 1201.07 cm-1 View
- 33 1204.64 cm-1 View
- 34 1235.45 cm-1 View
- 35 1263.10 cm-1 View
- 36 1295.68 cm-1 View
- 37 1310.99 cm-1 View
- 38 1335.01 cm-1 View
- 39 1369.18 cm-1 View
- 40 1380.36 cm-1 View
- 41 1404.20 cm-1 View
- 42 1469.17 cm-1 View
- 43 1532.95 cm-1 View
- 44 1563.97 cm-1 View
- 45 2882.30 cm-1 View
- 46 2885.10 cm-1 View
- 47 2916.67 cm-1 View
- 48 2920.74 cm-1 View
- 49 2939.47 cm-1 View
- 50 2970.41 cm-1 View
- 51 3717.82 cm-1 View
- 52 3745.72 cm-1 View
- 53 3810.96 cm-1 View
- 54 3908.01 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.23 | kJ mol-1 |
| Polar Solvation Energy | -29.20 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.97 | kJ mol-1 |
| Surface Area | 117.57 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.47 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]