Nonane-1-thiol
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 | 730.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 739.96 | 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 | 180.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 214.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.05 | J mol-1 K-1 |
| Rotational | 130.88 | J mol-1 K-1 |
| Vibrational | 208.49 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 511.42 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -194.55 | kJ mol-1 |
Molecular Orbitals
- 1 -2472.96 eV View
- 2 -301.51 eV View
- 3 -300.76 eV View
- 4 -300.55 eV View
- 5 -300.41 eV View
- 6 -300.39 eV View
- 7 -300.35 eV View
- 8 -300.32 eV View
- 9 -300.31 eV View
- 10 -300.18 eV View
- 11 -238.37 eV View
- 12 -174.07 eV View
- 13 -173.99 eV View
- 14 -173.89 eV View
- 15 -29.02 eV View
- 16 -28.44 eV View
- 17 -27.46 eV View
- 18 -26.17 eV View
- 19 -24.68 eV View
- 20 -23.08 eV View
- 21 -21.53 eV View
- 22 -20.80 eV View
- 23 -20.48 eV View
- 24 -20.41 eV View
- 25 -17.26 eV View
- 26 -16.72 eV View
- 27 -15.83 eV View
- 28 -15.49 eV View
- 29 -15.21 eV View
- 30 -14.72 eV View
- 31 -14.70 eV View
- 32 -13.83 eV View
- 33 -13.57 eV View
- 34 -13.54 eV View
- 35 -12.68 eV View
- 36 -12.52 eV View
- 37 -12.03 eV View
- 38 -11.93 eV View
- 39 -11.87 eV View
- 40 -11.65 eV View
- 41 -11.55 eV View
- 42 -11.43 eV View
- 43 -10.67 eV View
- 44 -10.15 eV View
- 45 -8.27 eV View
- 46 11.06 eV View
- 47 13.21 eV View
- 48 15.15 eV View
- 49 15.59 eV View
- 50 15.82 eV View
- 51 16.82 eV View
- 52 17.19 eV View
- 53 17.63 eV View
- 54 17.81 eV View
- 55 17.96 eV View
- 56 18.13 eV View
- 57 18.85 eV View
- 58 19.09 eV View
- 59 19.12 eV View
- 60 19.83 eV View
- 61 19.98 eV View
- 62 20.06 eV View
- 63 20.17 eV View
- 64 20.32 eV View
- 65 20.63 eV View
- 66 20.88 eV View
- 67 21.15 eV View
- 68 21.16 eV View
- 69 21.65 eV View
- 70 21.81 eV View
- 71 22.04 eV View
- 72 22.24 eV View
- 73 22.29 eV View
- 74 22.72 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 20.87 | kJ mol-1 |
| Polar Solvation Energy | -19.26 | kJ mol-1 |
| Nonpolar Solvation Energy | 40.13 | kJ mol-1 |
| Surface Area | 150.49 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.51 | Debye |