- InChI
- InChI=1S/C8H20NO2PS/c1-5-11-12(10,6-2)13-8-7-9(3)4/h5-8H2,1-4H3
- InChI Key
- LLMAYCPOBKHQIP-UHFFFAOYSA-N
- Formula
- C8H20NO2PS
- SMILES
- CCOP(=O)(CC)SCCN(C)C
- Molecular Weight1
- 225.29
- CAS
- 98543-25-0
- Other Names
-
- Ethyl-phosphonothioic acid S-(2-dimethylamino-ethyl) ester O-ethyl 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).
- 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 | 0.4863 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -430.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.531 | Crippen Calculated Property | |
| McVol | 182.110 | ml/mol | McGowan Calculated Property |
| Pc | 2180.15 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1521.70; 1522.00] |
|
|
| Inp | 1522.00 | NIST | |
| Inp | 1521.70 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1521.70 | NIST | |
| Tboil | 557.32 | K | Relay (1.0) Calculated Property |
| Tc | 698.83 | K | Relay (1.0) Calculated Property |
| Tfus | 241.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Ethyl S-2-dimethylaminoethyl ethylphosphonothiolate.
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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