Chemical Properties of 1,1'-Biphenyl, 4-fluoro- (CAS 324-74-3)

InChI

InChI=1S/C12H9F/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChI Key

RUYZJEIKQYLEGZ-UHFFFAOYSA-N

Formula

C12H9F

SMILES

Fc1ccc(-c2ccccc2)cc1

Molecular Weight¹

172.20

CAS

324-74-3

Other Names

• 4-Fluorobiphenyl
• Biphenyl, 4-fluoro-
• p-Fluorobiphenyl
• p-Fluorodiphenyl

• 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).
• 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_p : Polar retention indices.
• 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	0.3557		Relay (1.0) Calculated Property
ΔfG°	70.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-16.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.61	kJ/mol	Joback Calculated Property
ΔvapH°	67.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.00 ± 0.02	eV	NIST
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.493		Crippen Calculated Property
McVol	134.190	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[233.59; 1357.00]
Inp	1357.00		NIST
Inp	1357.00		NIST
Inp	233.89		NIST
Inp	233.59		NIST
Inp	233.89		NIST
Ip	[230.04; 230.04]
Ip	230.04		NIST
Ip	230.04		NIST
Tboil	[583.00; 583.20]	K
Tboil	583.20	K	NIST
Tboil	583.00	K	NIST
Tc	754.75	K	Relay (1.0) Calculated Property
Tfus	347.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.28; 405.40]	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			-5.54400e+01
Coefficient B			9.38300e-01
Coefficient C			-6.40760e-04
Coefficient D			1.63300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.28	J/mol×K	273.00	Calculated Property
Cp,gas	203.54	J/mol×K	353.78	Calculated Property
Cp,gas	244.70	J/mol×K	434.56	Calculated Property
Cp,gas	280.28	J/mol×K	515.33	Calculated Property
Cp,gas	310.79	J/mol×K	596.11	Calculated Property
Cp,gas	336.75	J/mol×K	676.89	Calculated Property
Cp,gas	358.67	J/mol×K	757.67	Calculated Property
Cp,gas	377.08	J/mol×K	838.44	Calculated Property
Cp,gas	392.48	J/mol×K	919.22	Calculated Property
Cp,gas	405.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 4-fluoro-.

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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