Chemical Properties of Benzene, 1,1'-(1,5-hexadiene-1,6-diyl)bis- (CAS 4439-45-6)

InChI

InChI=1S/C18H18/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-16H,1-2H2/b11-5+,12-6+

InChI Key

GXBNHFMSIXKWHZ-YDWXAUTNSA-N

Formula

C18H18

SMILES

C(=Cc1ccccc1)CCC=Cc1ccccc1

Molecular Weight¹

234.34

CAS

4439-45-6

Other Names

• 1,6-diphenyl-1,5-hexadiene

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.81; 649.75]	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			-1.09648e+02
Coefficient B			1.59600e+00
Coefficient C			-1.18540e-03
Coefficient D			3.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.81	J/mol×K	273.00	Calculated Property
Cp,gas	322.06	J/mol×K	353.78	Calculated Property
Cp,gas	388.68	J/mol×K	434.56	Calculated Property
Cp,gas	445.75	J/mol×K	515.33	Calculated Property
Cp,gas	494.40	J/mol×K	596.11	Calculated Property
Cp,gas	535.72	J/mol×K	676.89	Calculated Property
Cp,gas	570.81	J/mol×K	757.67	Calculated Property
Cp,gas	600.77	J/mol×K	838.44	Calculated Property
Cp,gas	626.72	J/mol×K	919.22	Calculated Property
Cp,gas	649.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018943; 0.0001072]	Pa×s	[335.30; 639.33]	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			-1.23072e+01
Coefficient B			2.02464e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			335.30
Temperature range, max.			639.33
η	0.0018943	Pa×s	335.30	Calculated Property
η	0.0010900	Pa×s	369.08	Calculated Property
η	0.0006881	Pa×s	402.86	Calculated Property
η	0.0004664	Pa×s	436.64	Calculated Property
η	0.0003343	Pa×s	470.42	Calculated Property
η	0.0002506	Pa×s	504.20	Calculated Property
η	0.0001947	Pa×s	537.98	Calculated Property
η	0.0001559	Pa×s	571.77	Calculated Property
η	0.0001280	Pa×s	605.55	Calculated Property
η	0.0001072	Pa×s	639.33	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,5-hexadiene-1,6-diyl)bis-.

Sources

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

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