- InChI
- InChI=1S/C10H13O5P/c1-13-9-6-4-8(5-7-9)10(11)16(12,14-2)15-3/h4-7H,1-3H3
- InChI Key
- TYYKVIUTXZKDQU-UHFFFAOYSA-N
- Formula
- C10H13O5P
- SMILES
- COc1ccc(C(=O)P(=O)(OC)OC)cc1
- Molecular Weight1
- 244.18
- 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 | 0.6255 | Relay (1.0) Calculated Property | |
| ΔfG° | -398.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -710.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.321 | Crippen Calculated Property | |
| McVol | 173.510 | ml/mol | McGowan Calculated Property |
| Pc | 2253.81 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1859.00; 1871.00] |
|
|
| Inp | 1859.00 | NIST | |
| Inp | 1871.00 | NIST | |
| Tboil | 607.91 | K | Relay (1.0) Calculated Property |
| Tc | 787.61 | K | Relay (1.0) Calculated Property |
| Tfus | 322.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (p-Methoxy-Benzoyl)-phosphonic acid dimethyl 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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