Sulfanylidenemethanone
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 24.88 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 33.55 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 12.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 41.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.80 | J mol-1 K-1 |
| Rotational | 65.62 | J mol-1 K-1 |
| Vibrational | 5.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 231.25 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -99.20 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.91 eV View
- 2 -555.91 eV View
- 3 -305.91 eV View
- 4 -239.40 eV View
- 5 -175.12 eV View
- 6 -174.94 eV View
- 7 -174.94 eV View
- 8 -39.32 eV View
- 9 -28.65 eV View
- 10 -18.49 eV View
- 11 -16.39 eV View
- 12 -16.39 eV View
- 13 -14.73 eV View
- 14 -9.37 eV View
- 15 -9.37 eV View
- 16 6.55 eV View
- 17 6.55 eV View
- 18 12.66 eV View
- 19 27.84 eV View
Vibrational Frequencies
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Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -5.50 | kJ mol-1 |
| Polar Solvation Energy | -12.42 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.98 | kJ mol-1 |
| Surface Area | 78.37 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.02 | Debye |