1-sulfinylpropane
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 | 229.73 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 239.65 | 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 | 61.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.78 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.87 | J mol-1 K-1 |
| Rotational | 110.22 | J mol-1 K-1 |
| Vibrational | 56.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -64.81 | kJ mol-1 |
Molecular Orbitals
- 1 -2478.10 eV View
- 2 -547.22 eV View
- 3 -301.40 eV View
- 4 -301.19 eV View
- 5 -300.84 eV View
- 6 -243.07 eV View
- 7 -178.78 eV View
- 8 -178.65 eV View
- 9 -178.64 eV View
- 10 -34.07 eV View
- 11 -28.85 eV View
- 12 -26.45 eV View
- 13 -22.71 eV View
- 14 -19.34 eV View
- 15 -16.74 eV View
- 16 -15.59 eV View
- 17 -15.44 eV View
- 18 -13.93 eV View
- 19 -13.27 eV View
- 20 -13.00 eV View
- 21 -12.54 eV View
- 22 -10.84 eV View
- 23 -7.81 eV View
- 24 -5.99 eV View
- 25 4.51 eV View
- 26 13.40 eV View
- 27 14.70 eV View
- 28 16.32 eV View
- 29 17.58 eV View
- 30 17.91 eV View
- 31 19.53 eV View
- 32 20.20 eV View
- 33 20.52 eV View
- 34 21.47 eV View
- 35 21.82 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.28 | kJ mol-1 |
| Polar Solvation Energy | -27.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.56 | kJ mol-1 |
| Surface Area | 99.80 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.89 | Debye |