- InChI
- InChI=1S/C5H13O3PS/c1-4-7-9(6,10-3)8-5-2/h4-5H2,1-3H3
- InChI Key
- GWEDODYYNURODY-UHFFFAOYSA-N
- Formula
- C5H13O3PS
- SMILES
- CCOP(=O)(OCC)SC
- Molecular Weight1
- 184.19
- CAS
- 2404-05-9
- Other Names
-
- O,O-Diethyl S-methyl phosphorothioate
- O,O'-Diethyl S-methyl thiophosphate
- Phosphorothioic acid, O,O'-diethyl S-methyl ester
- 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 | 0.4116 | Relay (1.0) Calculated Property | |
| ΔfG° | -317.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -631.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | NIST |
| log10WS | -0.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.530 | Crippen Calculated Property | |
| McVol | 135.730 | ml/mol | McGowan Calculated Property |
| Pc | 2639.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 508.70 | K | Relay (1.0) Calculated Property |
| Tc | 648.65 | K | Relay (1.0) Calculated Property |
| Tfus | 242.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Phosphorothioic acid, S-[2-[(1-cyano-1-methylethyl)amino]-2-oxoethyl] O,O-diethyl ester.](data:image/png;base64,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)
Find more compounds similar to Phosphorothioic acid, O,O-diethyl S-methyl ester.
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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