- InChI
- InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3
- InChI Key
- UOWIYNWMROWVDG-UHFFFAOYSA-N
- Formula
- C5H11O4P
- SMILES
- COP(=O)(CC(C)=O)OC
- Molecular Weight1
- 166.11
- CAS
- 4202-14-6
- Other Names
-
- Dimethyl acetylmethylphosphonate
- Phosphonic acid, (2-oxopropyl)-, dimethyl 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 | 0.4653 | Relay (1.0) Calculated Property | |
| ΔfG° | -401.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -744.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.061 | Crippen Calculated Property | |
| McVol | 120.950 | ml/mol | McGowan Calculated Property |
| Pc | 3010.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 506.36 | K | Relay (1.0) Calculated Property |
| Tc | 658.93 | K | Relay (1.0) Calculated Property |
| Tfus | 252.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl (2-oxopropyl)phosphonate.
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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