Chemical Properties of Benzene, 1,1',1'',1'''-(1,3-butadiene-1,2,3,4-tetrayl)tetrakis- (CAS 806-71-3)

InChI

InChI=1S/C28H22/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-22H/b27-21+,28-22+

InChI Key

DAABVBOFAIYKNX-GPAWKIAZSA-N

Formula

C28H22

SMILES

C(=C(C(=Cc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

Molecular Weight¹

358.47

CAS

806-71-3

Other Names

• 1,3-Butadiene, 1,2,3,4-tetraphenyl-
• 1,2,3,4-Tetraphenyl-1,3-butadiene
• (1-Benzylidene-2,3-diphenyl-2-propenyl)benzene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[342.74; 928.07]	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			-1.85930e+02
Coefficient B			2.38800e+00
Coefficient C			-1.79640e-03
Coefficient D			5.22400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.74	J/mol×K	273.00	Calculated Property
Cp,gas	457.19	J/mol×K	353.78	Calculated Property
Cp,gas	555.43	J/mol×K	434.56	Calculated Property
Cp,gas	639.11	J/mol×K	515.33	Calculated Property
Cp,gas	709.89	J/mol×K	596.11	Calculated Property
Cp,gas	769.42	J/mol×K	676.89	Calculated Property
Cp,gas	819.35	J/mol×K	757.67	Calculated Property
Cp,gas	861.34	J/mol×K	838.44	Calculated Property
Cp,gas	897.03	J/mol×K	919.22	Calculated Property
Cp,gas	928.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1',1'',1'''-(1,3-butadiene-1,2,3,4-tetrayl)tetrakis-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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