Chemical Properties of Benzene, 1,1'-(1,4-dimethyl-1-butene-1,4-diyl)bis- (CAS 52161-54-3)

InChI

InChI=1S/C18H20/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-13,16H,14H2,1-2H3/b15-13+

InChI Key

BWCDHPVLWVSYKC-FYWRMAATSA-N

Formula

C18H20

SMILES

CC(=CCC(C)c1ccccc1)c1ccccc1

Molecular Weight¹

236.35

CAS

52161-54-3

Other Names

• 2,5-Diphenyl-2-hexene
• 2-Hexene, 2,5-diphenyl-
• (1-Methyl-4-phenyl-3-pentenyl)benzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.65; 680.60]	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			-9.68390e+01
Coefficient B			1.58184e+00
Coefficient C			-1.10710e-03
Coefficient D			3.02700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.65	J/mol×K	273.00	Calculated Property
Cp,gas	337.62	J/mol×K	353.78	Calculated Property
Cp,gas	406.34	J/mol×K	434.56	Calculated Property
Cp,gas	465.75	J/mol×K	515.33	Calculated Property
Cp,gas	516.83	J/mol×K	596.11	Calculated Property
Cp,gas	560.52	J/mol×K	676.89	Calculated Property
Cp,gas	597.79	J/mol×K	757.67	Calculated Property
Cp,gas	629.58	J/mol×K	838.44	Calculated Property
Cp,gas	656.87	J/mol×K	919.22	Calculated Property
Cp,gas	680.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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