Chemical Properties of 1,1':3',1''-Terphenyl, 4,4''-dimethyl-5'-(4-methylphenyl)- (CAS 50446-43-0)

InChI

InChI=1S/C27H24/c1-19-4-10-22(11-5-19)25-16-26(23-12-6-20(2)7-13-23)18-27(17-25)24-14-8-21(3)9-15-24/h4-18H,1-3H3

InChI Key

XMGRUKCVUYLTKU-UHFFFAOYSA-N

Formula

C27H24

SMILES

Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1

Molecular Weight¹

348.48

CAS

50446-43-0

Other Names

• 1,3,5-Tris(4-methylphenyl)benzene
• 1,3,5-Tris-p-tolylbenzene

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.98; 922.98]	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			-8.57800e+01
Coefficient B			1.95576e+00
Coefficient C			-1.23460e-03
Coefficient D			2.87600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.98	J/mol×K	273.00	Calculated Property
Cp,gas	464.34	J/mol×K	353.78	Calculated Property
Cp,gas	554.57	J/mol×K	434.56	Calculated Property
Cp,gas	633.58	J/mol×K	515.33	Calculated Property
Cp,gas	702.28	J/mol×K	596.11	Calculated Property
Cp,gas	761.58	J/mol×K	676.89	Calculated Property
Cp,gas	812.39	J/mol×K	757.67	Calculated Property
Cp,gas	855.62	J/mol×K	838.44	Calculated Property
Cp,gas	892.18	J/mol×K	919.22	Calculated Property
Cp,gas	922.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003449; 0.0000666]	Pa×s	[562.33; 850.26]	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			-1.28274e+01
Coefficient B			2.73014e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			562.33
Temperature range, max.			850.26
η	0.0003449	Pa×s	562.33	Calculated Property
η	0.0002656	Pa×s	594.32	Calculated Property
η	0.0002100	Pa×s	626.31	Calculated Property
η	0.0001699	Pa×s	658.31	Calculated Property
η	0.0001402	Pa×s	690.30	Calculated Property
η	0.0001177	Pa×s	722.29	Calculated Property
η	0.0001002	Pa×s	754.28	Calculated Property
η	0.0000865	Pa×s	786.28	Calculated Property
η	0.0000755	Pa×s	818.27	Calculated Property
η	0.0000666	Pa×s	850.26	Calculated Property

Similar Compounds

Find more compounds similar to 1,1':3',1''-Terphenyl, 4,4''-dimethyl-5'-(4-methylphenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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