Hexan-1-ol
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 | 518.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 528.42 | 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 | 113.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 146.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.44 | J mol-1 K-1 |
| Rotational | 118.22 | J mol-1 K-1 |
| Vibrational | 114.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 398.87 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -335.57 | kJ mol-1 |
Molecular Orbitals
- 1 -550.88 eV View
- 2 -301.69 eV View
- 3 -300.55 eV View
- 4 -300.51 eV View
- 5 -300.46 eV View
- 6 -300.42 eV View
- 7 -300.23 eV View
- 8 -35.14 eV View
- 9 -28.65 eV View
- 10 -27.12 eV View
- 11 -24.83 eV View
- 12 -22.40 eV View
- 13 -20.92 eV View
- 14 -20.58 eV View
- 15 -17.37 eV View
- 16 -16.58 eV View
- 17 -15.68 eV View
- 18 -15.21 eV View
- 19 -14.79 eV View
- 20 -14.40 eV View
- 21 -13.81 eV View
- 22 -13.11 eV View
- 23 -12.60 eV View
- 24 -12.04 eV View
- 25 -11.90 eV View
- 26 -11.66 eV View
- 27 -11.54 eV View
- 28 -10.48 eV View
- 29 -9.25 eV View
- 30 15.31 eV View
- 31 15.35 eV View
- 32 16.40 eV View
- 33 16.66 eV View
- 34 17.71 eV View
- 35 18.08 eV View
- 36 18.43 eV View
- 37 18.50 eV View
- 38 19.22 eV View
- 39 19.73 eV View
- 40 19.87 eV View
- 41 20.18 eV View
- 42 20.31 eV View
- 43 20.93 eV View
- 44 21.01 eV View
- 45 21.37 eV View
- 46 21.83 eV View
- 47 21.87 eV View
- 48 22.04 eV View
- 49 22.53 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 56.74 cm-1 View
- 2 75.51 cm-1 View
- 3 113.47 cm-1 View
- 4 119.69 cm-1 View
- 5 124.61 cm-1 View
- 6 197.65 cm-1 View
- 7 294.28 cm-1 View
- 8 322.10 cm-1 View
- 9 336.89 cm-1 View
- 10 475.51 cm-1 View
- 11 535.99 cm-1 View
- 12 758.68 cm-1 View
- 13 785.70 cm-1 View
- 14 842.88 cm-1 View
- 15 916.92 cm-1 View
- 16 957.14 cm-1 View
- 17 979.79 cm-1 View
- 18 1026.27 cm-1 View
- 19 1084.16 cm-1 View
- 20 1095.32 cm-1 View
- 21 1116.29 cm-1 View
- 22 1127.28 cm-1 View
- 23 1131.77 cm-1 View
- 24 1134.12 cm-1 View
- 25 1136.05 cm-1 View
- 26 1150.41 cm-1 View
- 27 1158.02 cm-1 View
- 28 1165.23 cm-1 View
- 29 1165.74 cm-1 View
- 30 1212.49 cm-1 View
- 31 1266.75 cm-1 View
- 32 1332.35 cm-1 View
- 33 1364.86 cm-1 View
- 34 1378.30 cm-1 View
- 35 1384.82 cm-1 View
- 36 1389.34 cm-1 View
- 37 1406.40 cm-1 View
- 38 1408.81 cm-1 View
- 39 1411.37 cm-1 View
- 40 1413.50 cm-1 View
- 41 1418.97 cm-1 View
- 42 1427.91 cm-1 View
- 43 1437.66 cm-1 View
- 44 2932.47 cm-1 View
- 45 2939.37 cm-1 View
- 46 2949.11 cm-1 View
- 47 2957.19 cm-1 View
- 48 2959.98 cm-1 View
- 49 3025.59 cm-1 View
- 50 3027.39 cm-1 View
- 51 3030.65 cm-1 View
- 52 3034.12 cm-1 View
- 53 3034.80 cm-1 View
- 54 3078.59 cm-1 View
- 55 3084.99 cm-1 View
- 56 3181.78 cm-1 View
- 57 3885.53 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.59 | kJ mol-1 |
| Polar Solvation Energy | -10.41 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.99 | kJ mol-1 |
| Surface Area | 110.17 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.80 | Debye |