(3r,3ar,6r,6as)-2,3,3a,5,6,6a-hexahydrofuro[5,4-d]furan-3,6-diol
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 | 440.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 450.12 | 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 | 122.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 156.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 122.99 | J mol-1 K-1 |
| Vibrational | 91.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 385.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -597.76 | kJ mol-1 |
Molecular Orbitals
- 1 -551.66 eV View
- 2 -551.52 eV View
- 3 -551.44 eV View
- 4 -551.39 eV View
- 5 -302.49 eV View
- 6 -302.43 eV View
- 7 -302.10 eV View
- 8 -302.03 eV View
- 9 -301.97 eV View
- 10 -301.93 eV View
- 11 -36.52 eV View
- 12 -35.70 eV View
- 13 -35.50 eV View
- 14 -35.33 eV View
- 15 -27.08 eV View
- 16 -26.81 eV View
- 17 -25.03 eV View
- 18 -21.69 eV View
- 19 -20.85 eV View
- 20 -20.22 eV View
- 21 -18.15 eV View
- 22 -17.51 eV View
- 23 -16.88 eV View
- 24 -16.60 eV View
- 25 -16.01 eV View
- 26 -15.15 eV View
- 27 -14.64 eV View
- 28 -14.45 eV View
- 29 -13.79 eV View
- 30 -13.26 eV View
- 31 -12.89 eV View
- 32 -12.16 eV View
- 33 -11.77 eV View
- 34 -10.92 eV View
- 35 -10.27 eV View
- 36 -9.93 eV View
- 37 -9.45 eV View
- 38 -9.21 eV View
- 39 -8.92 eV View
- 40 11.21 eV View
- 41 14.42 eV View
- 42 14.58 eV View
- 43 14.84 eV View
- 44 15.44 eV View
- 45 16.30 eV View
- 46 16.91 eV View
- 47 17.36 eV View
- 48 17.66 eV View
- 49 17.92 eV View
- 50 18.37 eV View
- 51 18.75 eV View
- 52 19.37 eV View
- 53 19.53 eV View
- 54 19.71 eV View
- 55 20.09 eV View
- 56 20.31 eV View
- 57 20.71 eV View
- 58 20.98 eV View
- 59 21.83 eV View
- 60 22.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 102.15 cm-1 View
- 2 152.44 cm-1 View
- 3 159.75 cm-1 View
- 4 216.95 cm-1 View
- 5 254.85 cm-1 View
- 6 260.57 cm-1 View
- 7 292.52 cm-1 View
- 8 386.57 cm-1 View
- 9 409.15 cm-1 View
- 10 482.30 cm-1 View
- 11 500.57 cm-1 View
- 12 573.82 cm-1 View
- 13 646.51 cm-1 View
- 14 656.04 cm-1 View
- 15 757.07 cm-1 View
- 16 889.37 cm-1 View
- 17 915.92 cm-1 View
- 18 943.45 cm-1 View
- 19 962.69 cm-1 View
- 20 985.31 cm-1 View
- 21 997.33 cm-1 View
- 22 1011.15 cm-1 View
- 23 1022.02 cm-1 View
- 24 1023.28 cm-1 View
- 25 1072.99 cm-1 View
- 26 1075.32 cm-1 View
- 27 1102.24 cm-1 View
- 28 1111.22 cm-1 View
- 29 1119.65 cm-1 View
- 30 1142.05 cm-1 View
- 31 1153.57 cm-1 View
- 32 1162.69 cm-1 View
- 33 1189.16 cm-1 View
- 34 1246.16 cm-1 View
- 35 1258.01 cm-1 View
- 36 1308.53 cm-1 View
- 37 1327.43 cm-1 View
- 38 1347.20 cm-1 View
- 39 1362.04 cm-1 View
- 40 1367.90 cm-1 View
- 41 1375.49 cm-1 View
- 42 1377.73 cm-1 View
- 43 1413.57 cm-1 View
- 44 1421.26 cm-1 View
- 45 2843.50 cm-1 View
- 46 2853.65 cm-1 View
- 47 2886.79 cm-1 View
- 48 2897.42 cm-1 View
- 49 2986.41 cm-1 View
- 50 2990.10 cm-1 View
- 51 3035.53 cm-1 View
- 52 3036.12 cm-1 View
- 53 3898.93 cm-1 View
- 54 3903.68 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -2.26 | kJ mol-1 |
| Polar Solvation Energy | -22.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.31 | kJ mol-1 |
| Surface Area | 119.22 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.85 | Debye |