- InChI
- InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- OXDOANYFRLHSML-UHFFFAOYSA-N
- Formula
- C8H11O3P
- SMILES
- COP(=O)(OC)c1ccccc1
- Molecular Weight1
- 186.14
- CAS
- 2240-41-7
- Other Names
-
- Phosphonic acid, phenyl-, dimethyl ester
- O,O-Dimethyl benzene phosphonate
- 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 | 0.4479 | Relay (1.0) Calculated Property | |
| ΔfG° | -187.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -443.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.798 | Crippen Calculated Property | |
| McVol | 137.890 | ml/mol | McGowan Calculated Property |
| Pc | 2780.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 548.50 | K | Relay (1.0) Calculated Property |
| Tc | 722.89 | K | Relay (1.0) Calculated Property |
| Tfus | 291.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylphenylphosphonate.
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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