- InChI
- InChI=1S/C9H10ClO4P/c1-13-15(12,14-2)9(11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
- InChI Key
- TUKCAVDKGXMEKW-UHFFFAOYSA-N
- Formula
- C9H10ClO4P
- SMILES
- COP(=O)(OC)C(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 248.60
- 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 | 0.5403 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -593.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 165.790 | ml/mol | McGowan Calculated Property |
| Pc | 2455.98 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1716.00; 1729.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Tboil | 595.08 | K | Relay (1.0) Calculated Property |
| Tc | 784.67 | K | Relay (1.0) Calculated Property |
| Tfus | 314.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (p-Chloro-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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