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

• 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
ΔfG°	581.58	kJ/mol	Joback Calculated Property
ΔfH°gas	384.49	kJ/mol	Joback Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	79.45	kJ/mol	Joback Calculated Property
IE	8.52 ± 0.05	eV	NIST
log10WS	-9.28		Crippen 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	423.63		NIST
Inp	2365.00		NIST
Tboil	693.20	K	NIST
Tc	1146.33	K	Joback Calculated Property
Tfus	490.96	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[732.93; 813.64]	J/mol×K	[865.20; 1146.33]
Cp,gas	732.93	J/mol×K	865.20	Joback Calculated Property
Cp,gas	749.87	J/mol×K	912.06	Joback Calculated Property
Cp,gas	765.15	J/mol×K	958.91	Joback Calculated Property
Cp,gas	778.96	J/mol×K	1005.77	Joback Calculated Property
Cp,gas	791.51	J/mol×K	1052.62	Joback Calculated Property
Cp,gas	803.00	J/mol×K	1099.48	Joback Calculated Property
Cp,gas	813.64	J/mol×K	1146.33	Joback Calculated Property
Cp,solid	359.10	J/mol×K	298.15	Isomeri...
η	[0.0000654; 0.0006475]	Pa×s	[490.96; 865.20]
η	0.0006475	Pa×s	490.96	Joback Calculated Property
η	0.0003563	Pa×s	553.33	Joback Calculated Property
η	0.0002213	Pa×s	615.71	Joback Calculated Property
η	0.0001500	Pa×s	678.08	Joback Calculated Property
η	0.0001086	Pa×s	740.45	Joback Calculated Property
η	0.0000827	Pa×s	802.83	Joback Calculated Property
η	0.0000654	Pa×s	865.20	Joback Calculated Property

Similar Compounds

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

Sources

• 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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