- InChI
- InChI=1S/C12H17O4P/c1-4-15-17(14,16-5-2)12(13)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
- InChI Key
- OWGXWFLJRBMYGI-UHFFFAOYSA-N
- Formula
- C12H17O4P
- SMILES
- CCOP(=O)(OCC)C(=O)c1ccccc1C
- Molecular Weight1
- 256.23
- 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 | 0.6098 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -651.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 195.820 | ml/mol | McGowan Calculated Property |
| Pc | 1958.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1711.00; 1724.00] |
|
|
| Inp | 1711.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Tboil | 600.23 | K | Relay (1.0) Calculated Property |
| Tc | 775.68 | K | Relay (1.0) Calculated Property |
| Tfus | 271.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (o-Methyl-Benzoyl)-phosphonic acid diethyl ester.
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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