- 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
- CAS
- 1571-33-1
- Other Names
-
- Dihydrogen phenylphosphonate
- benzenephosphonic acid
- phenylphosphonic acid
- phosphonic acid, phenyl
- 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).
- Ttriple : Triple Point Temperature (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 | 0.8194 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -468.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 109.710 | ml/mol | McGowan Calculated Property |
| Pc | 3883.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.00 | K | Relay (1.0) Calculated Property |
| Tc | 822.30 | K | Relay (1.0) 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 |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
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-
- Isopropyl Alcohol + 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
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