![Phosphorothioic acid, O,O-diethyl O-[2-(ethylthio)ethyl] ester](/cid/23-177-0/Phosphorothioic-acid-O-O-diethyl-O-2-ethylthio-ethyl-ester.png "Phosphorothioic acid, O,O-diethyl O-[2-(ethylthio)ethyl] ester")
- InChI
- InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
- InChI Key
- DGLIBALSRMUQDD-UHFFFAOYSA-N
- Formula
- C8H19O3PS2
- SMILES
- CCOP(=S)(OCC)OCCSCC
- Molecular Weight1
- 258.34
- CAS
- 298-03-3
- Other Names
-
- Demetonthione
- Demeton thiono
- Demeton-O
- O,O-Diethyl O-[2-(ethylthio)ethyl] phosphorothionate
- O,O-Diethyl O-2-(ethylthio)ethyl phosphorothioate
- Di-Septon
- Diethyl (2-(eththio)ethyl) thionophosphate
- Diethyl (2-(ethylthio)ethyl) phosphorothionate
- Ethanol, 2-(ethylthio)-, O-ester with O,O-diethyl phosphorothioate
- Thiolmecaptophos
- Diaethylthiophosphorsaeureester des aethylthioglykol
- Demethon-O
- NSC 8928
- Phosphorothioic acid, O,O-diethyl ester O-[2-(ethylthio)ethyl] ester
- O,O-diethyl-O-[2-(ethylthio)ethyl] thiophosphate
- 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 | 0.4900 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -614.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.70 | kJ/mol | NIST |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.054 | Crippen Calculated Property | |
| McVol | 194.350 | ml/mol | McGowan Calculated Property |
| Pc | 2148.74 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1598.00; 1621.00] |
|
|
| Inp | 1598.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Tboil | 579.93 | K | Relay (1.0) Calculated Property |
| Tc | 726.25 | K | Relay (1.0) Calculated Property |
| Tfus | 201.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphorothioic acid, O,O-diethyl O-[2-(ethylthio)ethyl] 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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