1,1':4',1'':4'',1'''-Quaterphenyl (CAS 135-70-6)

InChI

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

InChI Key

GPRIERYVMZVKTC-UHFFFAOYSA-N

Formula

C24H18

SMILES

c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

Molecular Weight¹

306.40

CAS

135-70-6

Other Names

1,1'-biphenyl, 4,4'-diphenyl-
4,4'-diphenylbiphenyl
Quadriphenyl
benzerythrene
p,p'-Quaterphenyl
p-quaterphenyl
p-tetraphenyl

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).
η : Dynamic viscosity (Pa×s).
EA : Electron affinity (eV).
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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_subH° : Enthalpy of sublimation 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).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5672		Relay (1.0) Calculated Property
Δ_cH°_solid	-12244.00 ± 6.30	kJ/mol	NIST
EA	0.66 ± 0.02	eV	NIST
Δ_fG°	581.58	kJ/mol	Joback Calculated Property
Δ_fH°_gas	[382.00; 400.00]	kJ/mol
Δ_fH°_gas	400.00 ± 11.00	kJ/mol	NIST
Δ_fH°_gas	382.00 ± 7.50	kJ/mol	NIST
Δ_fH°_solid	[227.00; 227.00]	kJ/mol
Δ_fH°_solid	227.00 ± 7.00	kJ/mol	NIST
Δ_fH°_solid	227.00 ± 6.30	kJ/mol	NIST
Δ_fusH°	33.30	kJ/mol	Joback Calculated Property
Δ_subH°	[155.00; 172.50]	kJ/mol
Δ_subH°	172.50 ± 8.40	kJ/mol	NIST
Δ_subH°	156.00 ± 1.00	kJ/mol	NIST
Δ_subH°	155.00	kJ/mol	NIST
Δ_vapH°	136.10 ± 1.60	kJ/mol	NIST
IE	8.08 ± 0.05	eV	NIST
log₁₀WS	-8.86		Relay (1.0) Calculated Property
logP_oct/wat	6.688		Crippen Calculated Property
McVol	253.980	ml/mol	McGowan Calculated Property
P_c	2014.51	kPa	Joback Calculated Property
I_np	[472.80; 488.18]
I_np	472.80		NIST
I_np	488.18		NIST
I_np	472.81		NIST
I_np	488.18		NIST
S°_{solid,1 bar}	363.64	J/mol×K	NIST
T_boil	744.83	K	Relay (1.0) Calculated Property
T_c	1017.55	K	Relay (1.0) Calculated Property
T_fus	[576.00; 591.00]	K
T_fus	586.70 ± 0.50	K	NIST
T_fus	587.20 ± 0.50	K	NIST
T_fus	576.00 ± 2.00	K	NIST
T_fus	581.60 ± 4.00	K	NIST
T_fus	591.00 ± 4.00	K	NIST
T_triple	594.40	K	Isomerization effect on the heat capacities and phase behavior of oligophenyls isomers series
V_c	0.951	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[732.93; 813.64]	J/mol×K	[865.20; 1146.33]

C_p,gas	732.93	J/mol×K	865.20	Joback Calculated Property
C_p,gas	749.87	J/mol×K	912.06	Joback Calculated Property
C_p,gas	765.15	J/mol×K	958.91	Joback Calculated Property
C_p,gas	778.96	J/mol×K	1005.77	Joback Calculated Property
C_p,gas	791.51	J/mol×K	1052.62	Joback Calculated Property
C_p,gas	803.00	J/mol×K	1099.48	Joback Calculated Property
C_p,gas	813.64	J/mol×K	1146.33	Joback Calculated Property
C_p,solid	[340.00; 363.45]	J/mol×K	[298.15; 300.00]
C_p,solid	363.45	J/mol×K	298.15	Reassembling and testing of a high-precision heat capacity drop calorimeter. Heat capacity of some polyphenyls at T = 298.15 K
C_p,solid	362.52	J/mol×K	298.15	NIST
C_p,solid	340.00	J/mol×K	300.00	NIST
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
Δ_fusH	[37.80; 57.60]	kJ/mol	[586.70; 587.20]
Δ_fusH	57.60	kJ/mol	586.70	NIST
Δ_fusH	37.80	kJ/mol	587.20	NIST
Δ_fusH	37.80	kJ/mol	587.20	NIST
P_vap	[2.38e-10; 0.12]	kPa	[298.15; 510.00]

P_vap	2.38e-10	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	3.35e-10	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	1.94e-09	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	9.84e-09	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	4.41e-08	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	1.77e-07	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	6.44e-07	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	2.13e-06	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	6.49e-06	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	1.83e-05	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	4.81e-05	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	1.19e-04	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	2.76e-04	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	6.07e-04	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	1.27e-03	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	2.54e-03	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	4.87e-03	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	8.99e-03	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	0.02	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	0.03	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	0.05	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	0.07	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
P_vap	0.12	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Δ_fusS	[64.40; 98.20]	J/mol×K	[586.70; 587.20]
Δ_fusS	98.20	J/mol×K	586.70	NIST
Δ_fusS	64.40	J/mol×K	587.20	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	701.20	K	2.40	NIST

Similar Compounds

1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl.

1,1':4',1'':4'',1''':4''',1'''':4'''',1'''''-Sexiphenyl.

1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl.

1,1':3',1'':3'',1''':3''',1'''':3'''',1'''''-Sexiphenyl.

1,1':3',1'':3'',1''':3''',1'''':3'''',1''''':3''''',1'''''':3'''''',1'''''''-Octiphenyl.

Find more compounds similar to 1,1':4',1'':4'',1'''-Quaterphenyl.

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Chemical Properties of 1,1':4',1'':4'',1'''-Quaterphenyl (CAS 135-70-6)

Physical Properties

Temperature Dependent Properties

Pressure Dependent Properties

Similar Compounds

Sources