(2r,3r)-butane-1,2,3,4-tetrol
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 | 409.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 419.18 | 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 | 111.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.67 | J mol-1 K-1 |
| Rotational | 120.04 | J mol-1 K-1 |
| Vibrational | 97.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 386.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -791.18 | kJ mol-1 |
Molecular Orbitals
- 1 -551.53 eV View
- 2 -551.48 eV View
- 3 -551.47 eV View
- 4 -551.43 eV View
- 5 -302.18 eV View
- 6 -302.15 eV View
- 7 -302.04 eV View
- 8 -302.04 eV View
- 9 -36.42 eV View
- 10 -35.83 eV View
- 11 -35.49 eV View
- 12 -35.17 eV View
- 13 -27.02 eV View
- 14 -24.92 eV View
- 15 -22.40 eV View
- 16 -20.85 eV View
- 17 -17.96 eV View
- 18 -17.60 eV View
- 19 -17.03 eV View
- 20 -16.72 eV View
- 21 -15.92 eV View
- 22 -15.19 eV View
- 23 -14.98 eV View
- 24 -13.62 eV View
- 25 -13.25 eV View
- 26 -12.47 eV View
- 27 -12.22 eV View
- 28 -11.73 eV View
- 29 -10.78 eV View
- 30 -10.62 eV View
- 31 -10.46 eV View
- 32 -9.53 eV View
- 33 -8.75 eV View
- 34 13.37 eV View
- 35 14.41 eV View
- 36 15.90 eV View
- 37 16.19 eV View
- 38 16.30 eV View
- 39 16.78 eV View
- 40 17.22 eV View
- 41 18.18 eV View
- 42 18.84 eV View
- 43 19.04 eV View
- 44 19.25 eV View
- 45 19.67 eV View
- 46 20.45 eV View
- 47 21.09 eV View
- 48 21.49 eV View
- 49 21.98 eV View
- 50 22.15 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 1.50 cm-1 View
- 2 53.83 cm-1 View
- 3 62.08 cm-1 View
- 4 214.69 cm-1 View
- 5 228.63 cm-1 View
- 6 294.42 cm-1 View
- 7 311.31 cm-1 View
- 8 332.22 cm-1 View
- 9 340.94 cm-1 View
- 10 379.59 cm-1 View
- 11 403.52 cm-1 View
- 12 522.54 cm-1 View
- 13 544.35 cm-1 View
- 14 618.12 cm-1 View
- 15 701.57 cm-1 View
- 16 862.92 cm-1 View
- 17 897.51 cm-1 View
- 18 915.52 cm-1 View
- 19 1013.97 cm-1 View
- 20 1033.92 cm-1 View
- 21 1049.64 cm-1 View
- 22 1056.56 cm-1 View
- 23 1111.00 cm-1 View
- 24 1126.53 cm-1 View
- 25 1139.81 cm-1 View
- 26 1147.61 cm-1 View
- 27 1194.29 cm-1 View
- 28 1281.95 cm-1 View
- 29 1305.08 cm-1 View
- 30 1323.61 cm-1 View
- 31 1325.88 cm-1 View
- 32 1347.78 cm-1 View
- 33 1365.22 cm-1 View
- 34 1369.65 cm-1 View
- 35 1377.83 cm-1 View
- 36 1382.91 cm-1 View
- 37 1394.69 cm-1 View
- 38 1406.51 cm-1 View
- 39 2900.00 cm-1 View
- 40 2910.27 cm-1 View
- 41 2963.66 cm-1 View
- 42 2964.93 cm-1 View
- 43 3032.69 cm-1 View
- 44 3049.73 cm-1 View
- 45 3858.49 cm-1 View
- 46 3870.95 cm-1 View
- 47 3880.46 cm-1 View
- 48 3886.08 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.85 | kJ mol-1 |
| Polar Solvation Energy | -27.36 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.51 | kJ mol-1 |
| Surface Area | 110.24 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.74 | Debye |