- InChI
- InChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2
- InChI Key
- NAMFKTBQSCMITK-UHFFFAOYSA-N
- Formula
- C12H15NO2S
- SMILES
- O=C(CSc1ccccc1)N1CCOCC1
- Molecular Weight1
- 237.32
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5042 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -197.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.638 | Crippen Calculated Property | |
| McVol | 179.090 | ml/mol | McGowan Calculated Property |
| Pc | 2544.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2038.00; 2038.00] |
|
|
| Inp | 2038.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Tboil | 631.21 | K | Relay (1.0) Calculated Property |
| Tc | 860.67 | K | Relay (1.0) Calculated Property |
| Tfus | 344.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-.](data:image/png;base64,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)
Find more compounds similar to Phenylthioacetic acid, morpholide.
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
- McGowan Method
- NIST Webbook
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