Chemical Properties of p-Fluorophenoxyacetic acid (CAS 405-79-8)

InChI

InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key

ZBIULCVFFJJYTN-UHFFFAOYSA-N

Formula

C8H7FO3

SMILES

O=C(O)COc1ccc(F)cc1

Molecular Weight¹

170.14

CAS

405-79-8

Other Names

• 4-Fluorophenoxyacetic acid
• Acetic acid, (4-fluorophenoxy)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.71; 346.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.22010e+01
Coefficient B			6.24800e-01
Coefficient C			-3.53560e-04
Coefficient D			6.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.71	J/mol×K	273.00	Calculated Property
Cp,gas	191.80	J/mol×K	353.78	Calculated Property
Cp,gas	222.15	J/mol×K	434.56	Calculated Property
Cp,gas	248.96	J/mol×K	515.33	Calculated Property
Cp,gas	272.44	J/mol×K	596.11	Calculated Property
Cp,gas	292.79	J/mol×K	676.89	Calculated Property
Cp,gas	310.20	J/mol×K	757.67	Calculated Property
Cp,gas	324.88	J/mol×K	838.44	Calculated Property
Cp,gas	337.03	J/mol×K	919.22	Calculated Property
Cp,gas	346.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Fluorophenoxyacetic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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