Chemical Properties of Benzene, 1-fluoro-4-methoxy-

InChI

InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChI Key

VIPWUFMFHBIKQI-UHFFFAOYSA-N

Formula

C7H7FO

SMILES

COc1ccc(F)cc1

Molecular Weight¹

126.13

Other Names

• 1-fluoro-4-methoxybenzene
• 4-fluoroanisole
• 4-fluoromethoxybenzene
• anisole, p-fluoro-
• p-Fluoromethoxybenzene
• p-Fluorophenyl methyl ether
• p-Methoxyfluorobenzene
• p-fluoroanisol
• p-fluoroanisole

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3707		Relay (1.0) Calculated Property
PAff	795.00	kJ/mol	NIST
BasG	767.00	kJ/mol	NIST
ΔfG°	-188.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-288.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	48.70 ± 1.20	kJ/mol	NIST
IE	[8.26; 8.60]	eV
IE	8.26 ± 0.03	eV	NIST
IE	8.60 ± 0.10	eV	NIST
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	1.834		Crippen Calculated Property
McVol	93.370	ml/mol	McGowan Calculated Property
Pc	3736.23	kPa	Joback Calculated Property
Inp	[910.60; 925.00]
Inp	916.00		NIST
Inp	916.00		NIST
Inp	925.00		NIST
Inp	910.60		NIST
I	1367.00		NIST
Tboil	[430.00; 430.20]	K
Tboil	430.00	K	NIST
Tboil	430.20	K	NIST
Tc	630.92	K	Relay (1.0) Calculated Property
Tfus	243.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[122.88; 284.47]	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			8.51000e+00
Coefficient B			4.79020e-01
Coefficient C			-2.26560e-04
Coefficient D			2.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.88	J/mol×K	273.00	Calculated Property
Cp,gas	150.66	J/mol×K	353.78	Calculated Property
Cp,gas	175.82	J/mol×K	434.56	Calculated Property
Cp,gas	198.41	J/mol×K	515.33	Calculated Property
Cp,gas	218.53	J/mol×K	596.11	Calculated Property
Cp,gas	236.24	J/mol×K	676.89	Calculated Property
Cp,gas	251.61	J/mol×K	757.67	Calculated Property
Cp,gas	264.72	J/mol×K	838.44	Calculated Property
Cp,gas	275.65	J/mol×K	919.22	Calculated Property
Cp,gas	284.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-fluoro-4-methoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental and computational study on the molecular energetics of the three monofluoroanisole isomers
• 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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