Chemical Properties of 1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl (CAS 16716-13-5)

InChI

InChI=1S/C30H22/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24/h1-22H

InChI Key

XQCZQOSQCGDDPQ-UHFFFAOYSA-N

Formula

C30H22

SMILES

c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1

Molecular Weight¹

382.50

CAS

16716-13-5

Other Names

• 1,1':3',1'':3'',1'':3'',1''''-quinquephenyl
• m-Quinquiphenyl
• m-quinquephenyl

• 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).
• 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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.26; 965.31]	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			-1.51010e+02
Coefficient B			2.28080e+00
Coefficient C			-1.56308e-03
Coefficient D			3.98600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.26	J/mol×K	273.00	Calculated Property
Cp,gas	477.90	J/mol×K	353.78	Calculated Property
Cp,gas	577.66	J/mol×K	434.56	Calculated Property
Cp,gas	663.81	J/mol×K	515.33	Calculated Property
Cp,gas	737.60	J/mol×K	596.11	Calculated Property
Cp,gas	800.29	J/mol×K	676.89	Calculated Property
Cp,gas	853.15	J/mol×K	757.67	Calculated Property
Cp,gas	897.43	J/mol×K	838.44	Calculated Property
Cp,gas	934.40	J/mol×K	919.22	Calculated Property
Cp,gas	965.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002934; 0.0000452]	Pa×s	[597.52; 926.38]	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			-1.34033e+01
Coefficient B			3.14856e+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.			597.52
Temperature range, max.			926.38
η	0.0002934	Pa×s	597.52	Calculated Property
η	0.0002166	Pa×s	634.06	Calculated Property
η	0.0001652	Pa×s	670.60	Calculated Property
η	0.0001296	Pa×s	707.14	Calculated Property
η	0.0001042	Pa×s	743.68	Calculated Property
η	0.0000854	Pa×s	780.22	Calculated Property
η	0.0000713	Pa×s	816.76	Calculated Property
η	0.0000605	Pa×s	853.30	Calculated Property
η	0.0000520	Pa×s	889.84	Calculated Property
η	0.0000452	Pa×s	926.38	Calculated Property

Similar Compounds

Find more compounds similar to 1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl.

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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