Chemical Properties of Hexaphenylbenzene (CAS 992-04-1)

InChI

InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H

InChI Key

QBHWPVJPWQGYDS-UHFFFAOYSA-N

Formula

C42H30

SMILES

c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1

Molecular Weight¹

534.69

CAS

992-04-1

Other Names

• 1,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl-
• 3',4',5',6'-tetraphenyl-o-terphenyl
• Benzene, hexaphenyl-
• m-Terphenyl, 2',4',5',6'-tetraphenyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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).
• 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).
• 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	[508.42; 1341.27]	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			-2.01130e+02
Coefficient B			3.14400e+00
Coefficient C			-2.14420e-03
Coefficient D			5.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	508.42	J/mol×K	273.00	Calculated Property
Cp,gas	666.81	J/mol×K	353.78	Calculated Property
Cp,gas	804.73	J/mol×K	434.56	Calculated Property
Cp,gas	923.90	J/mol×K	515.33	Calculated Property
Cp,gas	1026.04	J/mol×K	596.11	Calculated Property
Cp,gas	1112.86	J/mol×K	676.89	Calculated Property
Cp,gas	1186.08	J/mol×K	757.67	Calculated Property
Cp,gas	1247.41	J/mol×K	838.44	Calculated Property
Cp,gas	1298.57	J/mol×K	919.22	Calculated Property
Cp,gas	1341.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000553; 0.0000107]	Pa×s	[810.64; 1182.08]	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			-1.50363e+01
Coefficient B			4.24280e+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.			810.64
Temperature range, max.			1182.08
η	0.0000553	Pa×s	810.64	Calculated Property
η	0.0000429	Pa×s	851.91	Calculated Property
η	0.0000341	Pa×s	893.18	Calculated Property
η	0.0000276	Pa×s	934.45	Calculated Property
η	0.0000228	Pa×s	975.73	Calculated Property
η	0.0000191	Pa×s	1017.00	Calculated Property
η	0.0000163	Pa×s	1058.27	Calculated Property
η	0.0000140	Pa×s	1099.54	Calculated Property
η	0.0000122	Pa×s	1140.81	Calculated Property
η	0.0000107	Pa×s	1182.08	Calculated Property

Similar Compounds

Find more compounds similar to Hexaphenylbenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solution calorimetry as a complementary tool for the determination of enthalpies of vaporization and sublimation of low volatile compounds at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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