Chemical Properties of 1,4-Diphenyl-1,3-butadiene (CAS 886-65-7)

InChI

InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H

InChI Key

JFLKFZNIIQFQBS-UHFFFAOYSA-N

Formula

C16H14

SMILES

C(C=Cc1ccccc1)=Cc1ccccc1

Molecular Weight¹

206.28

CAS

886-65-7

Other Names

• Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis-
• 1,3-Butadiene, 1,4-diphenyl-
• Bistyryl
• Distyryl
• 1,4-Diphenylbutadiene
• 1,4-Diphenylerythrene
• (4-Phenyl-1,3-butadienyl)benzene
• NSC 122702
• 1,4-diphenylbuta-1,3-diene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.3799		Relay (1.0) Calculated Property
EA	0.67 ± 0.02	eV	NIST
ΔfG°	469.10	kJ/mol	Joback Calculated Property
ΔfH°gas	327.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.68	kJ/mol	Joback Calculated Property
ΔvapH°	82.72	kJ/mol	Relay (1.0) Calculated Property
IE	[7.54; 8.05]	eV
IE	8.05	eV	NIST
IE	7.56	eV	NIST
IE	7.75	eV	NIST
IE	7.54 ± 0.03	eV	NIST
log10WS	-5.39		Relay (1.0) Calculated Property
logPoct/wat	4.413		Crippen Calculated Property
McVol	180.180	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Inp	[1738.00; 1738.00]
Inp	1738.00		NIST
Inp	1738.00		NIST
Tboil	591.11	K	Relay (1.0) Calculated Property
Tc	829.62	K	Relay (1.0) Calculated Property
Tfus	[425.00; 425.90]	K
Tfus	425.90 ± 3.00	K	NIST
Tfus	425.00 ± 5.00	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.76; 516.78]	J/mol×K	[627.36; 878.39]
Cp,gas	430.76	J/mol×K	627.36	Joback Calculated Property
Cp,gas	448.33	J/mol×K	669.20	Joback Calculated Property
Cp,gas	464.42	J/mol×K	711.04	Joback Calculated Property
Cp,gas	479.17	J/mol×K	752.88	Joback Calculated Property
Cp,gas	492.71	J/mol×K	794.71	Joback Calculated Property
Cp,gas	505.20	J/mol×K	836.55	Joback Calculated Property
Cp,gas	516.78	J/mol×K	878.39	Joback Calculated Property
η	[0.0001106; 0.0021009]	Pa×s	[312.76; 627.36]
η	0.0021009	Pa×s	312.76	Joback Calculated Property
η	0.0009043	Pa×s	365.19	Joback Calculated Property
η	0.0004810	Pa×s	417.63	Joback Calculated Property
η	0.0002945	Pa×s	470.06	Joback Calculated Property
η	0.0001990	Pa×s	522.49	Joback Calculated Property
η	0.0001444	Pa×s	574.93	Joback Calculated Property
η	0.0001106	Pa×s	627.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Diphenyl-1,3-butadiene.

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.
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