Chemical Properties of 4-Fluoro-2-methoxyphenol, acetate

InChI

InChI=1S/C9H9FO3/c1-6(11)13-8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3

InChI Key

AGAAKZLWQYHEGL-UHFFFAOYSA-N

Formula

C9H9FO3

SMILES

COc1cc(F)ccc1OC(C)=O

Molecular Weight¹

184.16

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	20.97	kJ/mol	Joback Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-2.10		Relay (1.0) Calculated Property
logPoct/wat	1.760		Crippen Calculated Property
McVol	128.990	ml/mol	McGowan Calculated Property
Inp	[1255.90; 1255.90]
Inp	1255.90		NIST
Inp	1255.90		NIST
Tboil	498.33	K	Relay (1.0) Calculated Property
Tfus	292.98	K	Relay (1.0) Calculated Property

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	[184.19; 392.72]	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			4.64000e+01
Coefficient B			5.54740e-01
Coefficient C			-1.73720e-04
Coefficient D			-3.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.19	J/mol×K	273.00	Calculated Property
Cp,gas	219.38	J/mol×K	353.78	Calculated Property
Cp,gas	251.81	J/mol×K	434.56	Calculated Property
Cp,gas	281.39	J/mol×K	515.33	Calculated Property
Cp,gas	308.01	J/mol×K	596.11	Calculated Property
Cp,gas	331.54	J/mol×K	676.89	Calculated Property
Cp,gas	351.89	J/mol×K	757.67	Calculated Property
Cp,gas	368.94	J/mol×K	838.44	Calculated Property
Cp,gas	382.59	J/mol×K	919.22	Calculated Property
Cp,gas	392.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-methoxyphenol, acetate.

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
• Joback Method
• 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.
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