- InChI
- InChI=1S/C8H11NOS/c1-9-11(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m0/s1
- InChI Key
- OQWUXWSLVBGOIX-NSHDSACASA-N
- Formula
- C8H11NOS
- SMILES
- CN=S(C)(=O)c1ccccc1
- Molecular Weight1
- 169.24
- CAS
- 20414-85-1
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4049 | Relay (... Calculated Property | |
| ΔfG° | 57.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -46.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.35 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -1.20 | Relay (... Calculated Property | |
| logPoct/wat | 1.773 | Crippen Calculated Property | |
| McVol | 132.020 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 546.21 | K | Relay (... Calculated Property |
| Tc | 768.07 | K | Relay (... Calculated Property |
| Tfus | 337.69 | K | Relay (... Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to R-(-)-N,S-Dimethyl-S-phenylsulfoximine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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