(2s,4s)-pentane-1,2,3,4,5-pentol
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 | 505.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 515.40 | 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 | 155.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 188.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.41 | J mol-1 K-1 |
| Rotational | 126.02 | J mol-1 K-1 |
| Vibrational | 141.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 438.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -992.89 | kJ mol-1 |
Molecular Orbitals
- 1 -551.65 eV View
- 2 -551.56 eV View
- 3 -551.52 eV View
- 4 -551.41 eV View
- 5 -551.39 eV View
- 6 -302.44 eV View
- 7 -302.42 eV View
- 8 -302.35 eV View
- 9 -302.18 eV View
- 10 -302.11 eV View
- 11 -36.54 eV View
- 12 -35.99 eV View
- 13 -35.61 eV View
- 14 -35.47 eV View
- 15 -35.24 eV View
- 16 -27.49 eV View
- 17 -25.71 eV View
- 18 -23.67 eV View
- 19 -22.27 eV View
- 20 -20.75 eV View
- 21 -18.29 eV View
- 22 -17.69 eV View
- 23 -17.44 eV View
- 24 -16.71 eV View
- 25 -16.61 eV View
- 26 -16.40 eV View
- 27 -15.24 eV View
- 28 -15.03 eV View
- 29 -14.21 eV View
- 30 -13.80 eV View
- 31 -13.54 eV View
- 32 -12.74 eV View
- 33 -12.49 eV View
- 34 -11.78 eV View
- 35 -11.59 eV View
- 36 -11.24 eV View
- 37 -11.01 eV View
- 38 -10.29 eV View
- 39 -9.84 eV View
- 40 -9.35 eV View
- 41 -8.67 eV View
- 42 13.11 eV View
- 43 13.89 eV View
- 44 14.69 eV View
- 45 15.12 eV View
- 46 15.95 eV View
- 47 16.31 eV View
- 48 16.73 eV View
- 49 16.90 eV View
- 50 17.41 eV View
- 51 17.83 eV View
- 52 18.74 eV View
- 53 19.02 eV View
- 54 19.20 eV View
- 55 19.31 eV View
- 56 19.62 eV View
- 57 20.08 eV View
- 58 20.75 eV View
- 59 21.14 eV View
- 60 21.91 eV View
- 61 21.99 eV View
- 62 23.24 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 41.66 cm-1 View
- 2 81.01 cm-1 View
- 3 108.06 cm-1 View
- 4 135.14 cm-1 View
- 5 201.30 cm-1 View
- 6 227.12 cm-1 View
- 7 265.53 cm-1 View
- 8 283.73 cm-1 View
- 9 292.71 cm-1 View
- 10 317.30 cm-1 View
- 11 348.51 cm-1 View
- 12 397.41 cm-1 View
- 13 418.11 cm-1 View
- 14 440.97 cm-1 View
- 15 451.19 cm-1 View
- 16 498.02 cm-1 View
- 17 510.67 cm-1 View
- 18 557.39 cm-1 View
- 19 634.51 cm-1 View
- 20 726.59 cm-1 View
- 21 830.13 cm-1 View
- 22 919.38 cm-1 View
- 23 965.27 cm-1 View
- 24 1001.51 cm-1 View
- 25 1048.02 cm-1 View
- 26 1056.91 cm-1 View
- 27 1069.54 cm-1 View
- 28 1090.03 cm-1 View
- 29 1092.28 cm-1 View
- 30 1105.20 cm-1 View
- 31 1127.24 cm-1 View
- 32 1135.17 cm-1 View
- 33 1173.51 cm-1 View
- 34 1195.61 cm-1 View
- 35 1251.69 cm-1 View
- 36 1299.67 cm-1 View
- 37 1311.96 cm-1 View
- 38 1335.58 cm-1 View
- 39 1349.90 cm-1 View
- 40 1351.10 cm-1 View
- 41 1360.04 cm-1 View
- 42 1381.40 cm-1 View
- 43 1384.70 cm-1 View
- 44 1389.64 cm-1 View
- 45 1396.54 cm-1 View
- 46 1411.78 cm-1 View
- 47 1435.36 cm-1 View
- 48 1439.10 cm-1 View
- 49 2853.17 cm-1 View
- 50 2859.18 cm-1 View
- 51 2903.71 cm-1 View
- 52 2934.17 cm-1 View
- 53 2937.47 cm-1 View
- 54 2981.88 cm-1 View
- 55 3029.61 cm-1 View
- 56 3834.55 cm-1 View
- 57 3864.83 cm-1 View
- 58 3866.45 cm-1 View
- 59 3870.71 cm-1 View
- 60 3882.92 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.33 | kJ mol-1 |
| Polar Solvation Energy | -32.04 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.69 | kJ mol-1 |
| Surface Area | 125.25 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.74 | Debye |