- InChI
- InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3
- InChI Key
- CTSAXXHOGZNKJR-UHFFFAOYSA-N
- Formula
- C7H15O5P
- SMILES
- CCOP(=O)(CC(=O)OC)OCC
- Molecular Weight1
- 210.16
- CAS
- 1067-74-9
- Other Names
-
- Diethylmethylphosphonoacetate
- Diethyl carbomethoxymethylphosphonate
- Acetic acid, (diethoxyphosphinyl)-, methyl ester
- Acetic acid, phosphono-, p,p-diethyl c-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).
- 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 | 0.5620 | Relay (1.0) Calculated Property | |
| ΔfG° | -558.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -991.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.425 | Crippen Calculated Property | |
| McVol | 155.000 | ml/mol | McGowan Calculated Property |
| Pc | 2324.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 528.08 | K | Relay (1.0) Calculated Property |
| Tc | 673.98 | K | Relay (1.0) Calculated Property |
| Tfus | 218.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methyl diethylphosphonoacetate.
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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