Chemical Properties of 1,1':2',1'':2'',1'''-Quaterphenyl (CAS 641-96-3)

InChI

InChI=1S/C24H18/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H

InChI Key

YAVCXSHORWKJQQ-UHFFFAOYSA-N

Formula

C24H18

SMILES

c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2)cc1

Molecular Weight¹

306.40

CAS

641-96-3

Other Names

• 1,1'-Biphenyl, 2,2'-diphenyl-
• 2,2'-diphenyl-1,1'-biphenyl
• 2,2'-diphenylbiphenyl
• O,O-Quaterphenyl
• o,o'-quaterphenyl
• o-quaterphenyl
• ortho-Quaterphenyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	0.5460		Relay (1.0) Calculated Property
ΔfG°	581.58	kJ/mol	Joback Calculated Property
ΔfH°gas	413.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	128.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.52 ± 0.05	eV	NIST
log10WS	-8.08		Relay (1.0) Calculated Property
logPoct/wat	6.688		Crippen Calculated Property
McVol	253.980	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[394.68; 2365.00]
Inp	2365.00		NIST
Inp	423.63		NIST
Inp	423.63		NIST
Inp	394.68		NIST
Inp	423.63		NIST
Inp	2365.00		NIST
Inp	423.63		NIST
Tboil	693.20	K	NIST
Tc	1017.93	K	Relay (1.0) Calculated Property
Tfus	408.06	K	Relay (1.0) Calculated Property
Vc	0.939	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.69; 777.33]	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			-1.25950e+02
Coefficient B			1.84920e+00
Coefficient C			-1.27252e-03
Coefficient D			3.26600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.69	J/mol×K	273.00	Calculated Property
Cp,gas	383.45	J/mol×K	353.78	Calculated Property
Cp,gas	464.13	J/mol×K	434.56	Calculated Property
Cp,gas	533.76	J/mol×K	515.33	Calculated Property
Cp,gas	593.37	J/mol×K	596.11	Calculated Property
Cp,gas	644.00	J/mol×K	676.89	Calculated Property
Cp,gas	686.68	J/mol×K	757.67	Calculated Property
Cp,gas	722.44	J/mol×K	838.44	Calculated Property
Cp,gas	752.31	J/mol×K	919.22	Calculated Property
Cp,gas	777.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006475; 0.0000827]	Pa×s	[490.96; 802.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26411e+01
Coefficient B			2.60144e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			490.96
Temperature range, max.			802.62
η	0.0006475	Pa×s	490.96	Calculated Property
η	0.0004567	Pa×s	525.59	Calculated Property
η	0.0003363	Pa×s	560.22	Calculated Property
η	0.0002567	Pa×s	594.85	Calculated Property
η	0.0002018	Pa×s	629.47	Calculated Property
η	0.0001627	Pa×s	664.10	Calculated Property
η	0.0001340	Pa×s	698.73	Calculated Property
η	0.0001124	Pa×s	733.36	Calculated Property
η	0.0000958	Pa×s	767.99	Calculated Property
η	0.0000827	Pa×s	802.62	Calculated Property

Similar Compounds

Find more compounds similar to 1,1':2',1'':2'',1'''-Quaterphenyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isomerization effect on the heat capacities and phase behavior of oligophenyls isomers series
• Joback Method
• McGowan Method
• NIST Webbook

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