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

InChI

InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H

InChI Key

KGNQDBQYEBMPFZ-UHFFFAOYSA-N

Formula

C6H4FI

SMILES

Fc1ccc(I)cc1

Molecular Weight¹

222.00

Other Names

• 1,4-fluoroiodobenzene
• 1-fluoro-4-iodobenzene
• 4-Fluoroiodobenzene
• 4-Iodofluorobenzene
• p-Fluoroiodobenzene
• p-Iodofluorobenzene

• ω : Acentric Factor.
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2811		Relay (1.0) Calculated Property
ΔfG°	-34.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-14.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.43	kJ/mol	Joback Calculated Property
ΔvapH°	50.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-3.13		Aq. Solubility Prediction
logPoct/wat	2.430		Crippen Calculated Property
McVol	99.230	ml/mol	McGowan Calculated Property
Pc	4189.32	kPa	Joback Calculated Property
Tboil	[456.00; 456.20]	K
Tboil	456.00 ± 1.00	K	NIST
Tboil	456.20	K	NIST
Tc	694.67	K	Relay (1.0) Calculated Property
Tfus	249.65	K	Aq. Solubility Prediction
Vc	0.343	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.34; 223.55]	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			-4.39000e+00
Coefficient B			4.86200e-01
Coefficient C			-3.64560e-04
Coefficient D			1.06300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	103.34	J/mol×K	273.00	Calculated Property
Cp,gas	126.70	J/mol×K	353.78	Calculated Property
Cp,gas	146.77	J/mol×K	434.56	Calculated Property
Cp,gas	163.90	J/mol×K	515.33	Calculated Property
Cp,gas	178.41	J/mol×K	596.11	Calculated Property
Cp,gas	190.65	J/mol×K	676.89	Calculated Property
Cp,gas	200.94	J/mol×K	757.67	Calculated Property
Cp,gas	209.64	J/mol×K	838.44	Calculated Property
Cp,gas	217.06	J/mol×K	919.22	Calculated Property
Cp,gas	223.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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