Chemical Properties of Benzene, 1,1'-(1,4-dimethyl-1,4-butanediyl)bis- (CAS 3548-85-4)

InChI

InChI=1S/C18H22/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3

InChI Key

SFGSCWQCLSTTPQ-UHFFFAOYSA-N

Formula

C18H22

SMILES

CC(CCC(C)c1ccccc1)c1ccccc1

Molecular Weight¹

238.37

CAS

3548-85-4

Other Names

• Hexane, 2,5-diphenyl-
• 2,5-Diphenylhexane
• 1,1'-(1,4-dimethyl-1,4-butanediyl)bisbenzene

• 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	[272.19; 711.99]	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			-8.46480e+01
Coefficient B			1.56784e+00
Coefficient C			-1.02420e-03
Coefficient D			2.53000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.19	J/mol×K	273.00	Calculated Property
Cp,gas	353.03	J/mol×K	353.78	Calculated Property
Cp,gas	424.02	J/mol×K	434.56	Calculated Property
Cp,gas	485.94	J/mol×K	515.33	Calculated Property
Cp,gas	539.60	J/mol×K	596.11	Calculated Property
Cp,gas	585.80	J/mol×K	676.89	Calculated Property
Cp,gas	625.34	J/mol×K	757.67	Calculated Property
Cp,gas	659.02	J/mol×K	838.44	Calculated Property
Cp,gas	687.64	J/mol×K	919.22	Calculated Property
Cp,gas	711.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037813; 0.0001290]	Pa×s	[315.46; 626.15]	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			-1.23862e+01
Coefficient B			2.14780e+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.			315.46
Temperature range, max.			626.15
η	0.0037813	Pa×s	315.46	Calculated Property
η	0.0019319	Pa×s	349.98	Calculated Property
η	0.0011135	Pa×s	384.50	Calculated Property
η	0.0007028	Pa×s	419.02	Calculated Property
η	0.0004758	Pa×s	453.55	Calculated Property
η	0.0003404	Pa×s	488.07	Calculated Property
η	0.0002545	Pa×s	522.59	Calculated Property
η	0.0001973	Pa×s	557.11	Calculated Property
η	0.0001575	Pa×s	591.63	Calculated Property
η	0.0001290	Pa×s	626.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,4-dimethyl-1,4-butanediyl)bis-.

Sources

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

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