- InChI
- InChI=1S/C4H11O2PS/c1-4-6-7(2,5)8-3/h4H2,1-3H3
- InChI Key
- RGYCUYGGOREOSJ-UHFFFAOYSA-N
- Formula
- C4H11O2PS
- SMILES
- CCOP(C)(=O)SC
- Molecular Weight1
- 154.17
- CAS
- 51865-09-9
- 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 | 0.3395 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -436.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.209 | Crippen Calculated Property | |
| McVol | 115.770 | ml/mol | McGowan Calculated Property |
| Pc | 3198.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1121.00; 1121.00] |
|
|
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Tboil | 481.16 | K | Relay (1.0) Calculated Property |
| Tc | 635.05 | K | Relay (1.0) Calculated Property |
| Tfus | 248.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate.](data:image/png;base64,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)
Find more compounds similar to O-Ethyl S-methyl methylphosphonothiolate.
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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