- InChI
- InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
- InChI Key
- QLZHNIAADXEJJP-UHFFFAOYSA-N
- Formula
- C6H7O3P
- SMILES
- O=P(O)(O)c1ccccc1
- Molecular Weight1
- 158.09
- Other Names
-
- Dihydrogen phenylphosphonate
- benzenephosphonic acid
- phenylphosphonic acid
- phosphonic acid, phenyl
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 109.710 | ml/mol | McGowan Calculated Property |
| Tfus | 451.06 | K | Relay (1.0) Calculated Property |
| Ttriple | 437.53 | K | Solid-Liquid Equilibrium Solubility, Thermodynamic Properties, and Molecular Simulation of Phenylphosphonic Acid in 15 Pure Solvents at Different Temperatures |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to PHOSPHONIC ACID, PHENYL-.
Mixtures
- Methyl Alcohol + PHOSPHONIC ACID, PHENYL-
- Ethanol + PHOSPHONIC ACID, PHENYL-
- 1-Propanol + PHOSPHONIC ACID, PHENYL-
- 2-Propanol + PHOSPHONIC ACID, PHENYL-
- 1-Butanol + PHOSPHONIC ACID, PHENYL-
- 1-Pentanol + PHOSPHONIC ACID, PHENYL-
- 1-Hexanol + PHOSPHONIC ACID, PHENYL-
- 1-Octanol + PHOSPHONIC ACID, PHENYL-
- Acetone + PHOSPHONIC ACID, PHENYL-
- 1,4-Dioxane + PHOSPHONIC ACID, PHENYL-
- Ethanol, 2-methoxy- + PHOSPHONIC ACID, PHENYL-
- Ethanol, 2-ethoxy- + PHOSPHONIC ACID, PHENYL-
- Ethanol, 2-propoxy- + PHOSPHONIC ACID, PHENYL-
- Ethanol, 2-butoxy- + PHOSPHONIC ACID, PHENYL-
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
- Solid-Liquid Equilibrium Solubility, Thermodynamic Properties, and Molecular Simulation of Phenylphosphonic Acid in 15 Pure Solvents at Different Temperatures
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.