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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.25; 653.26]	J/mol×K	[668.40; 907.83]
Cp,gas	556.25	J/mol×K	668.40	Joback Calculated Property
Cp,gas	575.72	J/mol×K	708.30	Joback Calculated Property
Cp,gas	593.72	J/mol×K	748.21	Joback Calculated Property
Cp,gas	610.36	J/mol×K	788.11	Joback Calculated Property
Cp,gas	625.75	J/mol×K	828.02	Joback Calculated Property
Cp,gas	640.01	J/mol×K	867.92	Joback Calculated Property
Cp,gas	653.26	J/mol×K	907.83	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.