- InChI
- InChI=1S/C4H12NO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H2,5,9)
- InChI Key
- LAGRCNJEUAJJQC-UHFFFAOYSA-N
- Formula
- C4H12NO2PS
- SMILES
- CCOP(N)(=S)OCC
- Molecular Weight1
- 169.18
- CAS
- 17321-48-1
- Other Names
-
- O,O-Diethyl phosphoramidothioate
- O,O-diethyl thiophosphoramidate
- 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 | 0.4649 | Relay (1.0) Calculated Property | |
| ΔfG° | -112.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -386.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.243 | Crippen Calculated Property | |
| McVol | 125.750 | ml/mol | McGowan Calculated Property |
| Pc | 2824.75 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 492.00 | K | Relay (1.0) Calculated Property |
| Tc | 657.31 | K | Relay (1.0) Calculated Property |
| Tfus | 274.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Phosphorothioic acid, O,O-diethyl O-[2-(ethylthio)ethyl] ester.](data:image/png;base64,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)
Find more compounds similar to Phosphoramidothioic acid, O,O-diethyl ester.
Sources
- Cheméo Relay (1.0)
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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