6-sulfanylhexan-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 | 514.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 524.19 | 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 | 134.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 168.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.84 | J mol-1 K-1 |
| Rotational | 124.74 | J mol-1 K-1 |
| Vibrational | 146.70 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 441.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -299.96 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.04 eV View
- 2 -550.99 eV View
- 3 -301.82 eV View
- 4 -301.59 eV View
- 5 -300.96 eV View
- 6 -300.79 eV View
- 7 -300.75 eV View
- 8 -300.71 eV View
- 9 -238.44 eV View
- 10 -174.14 eV View
- 11 -174.06 eV View
- 12 -173.97 eV View
- 13 -35.25 eV View
- 14 -29.12 eV View
- 15 -27.86 eV View
- 16 -25.95 eV View
- 17 -23.83 eV View
- 18 -21.93 eV View
- 19 -21.01 eV View
- 20 -20.95 eV View
- 21 -17.61 eV View
- 22 -17.00 eV View
- 23 -16.03 eV View
- 24 -15.41 eV View
- 25 -15.10 eV View
- 26 -14.66 eV View
- 27 -13.98 eV View
- 28 -13.55 eV View
- 29 -12.81 eV View
- 30 -12.76 eV View
- 31 -12.30 eV View
- 32 -12.12 eV View
- 33 -11.88 eV View
- 34 -10.88 eV View
- 35 -10.27 eV View
- 36 -9.37 eV View
- 37 -8.30 eV View
- 38 11.01 eV View
- 39 13.28 eV View
- 40 15.05 eV View
- 41 15.31 eV View
- 42 16.17 eV View
- 43 16.54 eV View
- 44 17.47 eV View
- 45 17.74 eV View
- 46 18.00 eV View
- 47 18.62 eV View
- 48 19.21 eV View
- 49 19.38 eV View
- 50 19.62 eV View
- 51 19.70 eV View
- 52 20.25 eV View
- 53 20.57 eV View
- 54 20.82 eV View
- 55 21.35 eV View
- 56 21.51 eV View
- 57 21.74 eV View
- 58 22.26 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.60 | kJ mol-1 |
| Polar Solvation Energy | -27.88 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.27 | kJ mol-1 |
| Surface Area | 138.07 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.74 | Debye |