Chemical Properties of 1,1'-Biphenyl, 4,4'-difluoro- (CAS 398-23-2)

InChI

InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

InChI Key

PZDAAZQDQJGXSW-UHFFFAOYSA-N

Formula

C12H8F2

SMILES

Fc1ccc(-c2ccc(F)cc2)cc1

Molecular Weight¹

190.19

CAS

398-23-2

Other Names

• 4,4'-Difluorobiphenyl
• 4,4'-Difluorodiphenyl
• Biphenyl, 4,4'-difluoro-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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_p : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• 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	0.4060		Relay (1.0) Calculated Property
ΔcH°solid	-5927.10 ± 0.92	kJ/mol	NIST
ΔfG°	-133.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-205.40 ± 4.70	kJ/mol	NIST
ΔfH°solid	-296.60 ± 2.20	kJ/mol	NIST
ΔfusH°	20.30	kJ/mol	Joback Calculated Property
ΔsubH°	91.20 ± 4.20	kJ/mol	NIST
ΔvapH°	71.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.00 ± 0.02	eV	NIST
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	3.632		Crippen Calculated Property
McVol	135.960	ml/mol	McGowan Calculated Property
Pc	2992.59	kPa	Joback Calculated Property
Inp	[233.78; 1360.00]
Inp	1356.00		NIST
Inp	1356.00		NIST
Inp	1360.00		NIST
Inp	233.78		NIST
Inp	234.08		NIST
Ip	[233.87; 233.87]
Ip	233.87		NIST
Ip	233.87		NIST
S°solid,1 bar	237.59	J/mol×K	NIST
Tboil	527.70	K	NIST
Tc	750.51	K	Relay (1.0) Calculated Property
Tfus	363.10 ± 2.00	K	NIST
Vc	0.520	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.03; 409.43]	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			-3.50500e+01
Coefficient B			8.90600e-01
Coefficient C			-5.90120e-04
Coefficient D			1.44000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.03	J/mol×K	273.00	Calculated Property
Cp,gas	212.54	J/mol×K	353.78	Calculated Property
Cp,gas	252.34	J/mol×K	434.56	Calculated Property
Cp,gas	286.90	J/mol×K	515.33	Calculated Property
Cp,gas	316.65	J/mol×K	596.11	Calculated Property
Cp,gas	342.07	J/mol×K	676.89	Calculated Property
Cp,gas	363.60	J/mol×K	757.67	Calculated Property
Cp,gas	381.70	J/mol×K	838.44	Calculated Property
Cp,gas	396.82	J/mol×K	919.22	Calculated Property
Cp,gas	409.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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