2,3-dihydrothiophene
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 | 236.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 246.55 | 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 | 48.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.68 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.30 | J mol-1 K-1 |
| Rotational | 107.29 | J mol-1 K-1 |
| Vibrational | 28.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 299.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 56.12 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.27 eV View
- 2 -301.51 eV View
- 3 -301.15 eV View
- 4 -300.64 eV View
- 5 -300.09 eV View
- 6 -238.62 eV View
- 7 -174.30 eV View
- 8 -174.24 eV View
- 9 -174.15 eV View
- 10 -29.81 eV View
- 11 -25.74 eV View
- 12 -25.08 eV View
- 13 -20.51 eV View
- 14 -18.88 eV View
- 15 -17.09 eV View
- 16 -16.54 eV View
- 17 -13.60 eV View
- 18 -13.34 eV View
- 19 -12.89 eV View
- 20 -12.24 eV View
- 21 -10.57 eV View
- 22 -10.38 eV View
- 23 -6.70 eV View
- 24 8.32 eV View
- 25 10.18 eV View
- 26 12.97 eV View
- 27 16.17 eV View
- 28 16.60 eV View
- 29 17.68 eV View
- 30 18.54 eV View
- 31 19.57 eV View
- 32 20.61 eV View
- 33 21.07 eV View
- 34 23.68 eV View
- 35 27.59 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.46 | kJ mol-1 |
| Polar Solvation Energy | -19.60 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.13 | kJ mol-1 |
| Surface Area | 95.21 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.00 | Debye |