- InChI
- InChI=1S/C10H24NO2PS/c1-5-11(6-2)9-10-15-14(12,8-4)13-7-3/h5-10H2,1-4H3
- InChI Key
- QXRUNSUMQBTCQS-UHFFFAOYSA-N
- Formula
- C10H24NO2PS
- SMILES
- CCOP(=O)(CC)SCCN(CC)CC
- Molecular Weight1
- 253.34
- CAS
- 21738-25-0
- Other Names
-
- S-[2-(Diethylamino)ethyl] o-ethyl ethylphosphonothioate
- Ethyl-phosphonothioic acid S-(2-diethylamino-ethyl) ester O-ethyl ester
- VE
- 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 | 0.5456 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -501.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.311 | Crippen Calculated Property | |
| McVol | 210.290 | ml/mol | McGowan Calculated Property |
| Pc | 1968.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1622.00; 1671.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1670.90 | NIST | |
| Inp | 1671.00 | NIST | |
| Tboil | 576.32 | K | Relay (1.0) Calculated Property |
| Tc | 715.18 | K | Relay (1.0) Calculated Property |
| Tfus | 223.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Ethyl S-2-diethylaminoethyl 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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