- InChI
- InChI=1S/C11H26NO2PS/c1-7-15(13,14-6)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3
- InChI Key
- AVIWKFSOYDOCNU-UHFFFAOYSA-N
- Formula
- C11H26NO2PS
- SMILES
- CCP(=O)(OC)SCCN(C(C)C)C(C)C
- Molecular Weight1
- 267.37
- CAS
- 162085-94-1
- Other Names
-
- Ethyl-phosphonothioic acid, S-(2-diisopropylamino-ethyl) O-methyl ester
- Phosphonothioic acid, ethyl-, S-[2-[bis(1-methylethyl)amino]ethyl] O-methyl ester
- Ethyl-phosphonothioic acid S-(2-diisopropylamino-ethyl) ester O-methyl 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 | 0.5108 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -502.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 224.380 | ml/mol | McGowan Calculated Property |
| Pc | 1903.24 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1741.00; 1741.00] |
|
|
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Tboil | 574.11 | K | Relay (1.0) Calculated Property |
| Tc | 724.05 | K | Relay (1.0) Calculated Property |
| Tfus | 242.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Methyl S-2-diisopropylaminoethyl 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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