(2r)-3-sulfanylpropane-1,2-diol
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 | 299.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 309.56 | 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 | 89.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 123.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.14 | J mol-1 K-1 |
| Rotational | 116.45 | J mol-1 K-1 |
| Vibrational | 82.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -396.40 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.54 eV View
- 2 -551.57 eV View
- 3 -551.20 eV View
- 4 -302.52 eV View
- 5 -302.03 eV View
- 6 -301.88 eV View
- 7 -238.93 eV View
- 8 -174.63 eV View
- 9 -174.55 eV View
- 10 -174.46 eV View
- 11 -36.08 eV View
- 12 -35.24 eV View
- 13 -28.15 eV View
- 14 -25.43 eV View
- 15 -23.12 eV View
- 16 -20.92 eV View
- 17 -17.81 eV View
- 18 -16.73 eV View
- 19 -16.35 eV View
- 20 -15.43 eV View
- 21 -15.06 eV View
- 22 -13.93 eV View
- 23 -13.12 eV View
- 24 -12.05 eV View
- 25 -11.40 eV View
- 26 -10.85 eV View
- 27 -10.43 eV View
- 28 -9.50 eV View
- 29 -8.55 eV View
- 30 10.49 eV View
- 31 12.71 eV View
- 32 14.57 eV View
- 33 15.34 eV View
- 34 16.51 eV View
- 35 17.58 eV View
- 36 17.81 eV View
- 37 18.36 eV View
- 38 18.83 eV View
- 39 19.65 eV View
- 40 20.31 eV View
- 41 21.21 eV View
- 42 21.60 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.07 | kJ mol-1 |
| Polar Solvation Energy | -27.83 | kJ mol-1 |
| Nonpolar Solvation Energy | 15.80 | kJ mol-1 |
| Surface Area | 112.77 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.70 | Debye |