Chemical Properties of 1,4-BIS(5-PHENYLOXAZOL)BENZENE

InChI

InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H

InChI Key

MASVCBBIUQRUKL-UHFFFAOYSA-N

Formula

C24H16N2O2

SMILES

c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1

Molecular Weight¹

364.40

Other Names

• POPOP
• Oxazole, 2,2'-(1,4-phenylene)bis[5-phenyl-
• p-Bis(5-phenyloxazol-2-yl)benzene
• Oxazole, 2,2'-p-phenylenebis(5-phenyl-
• 1,4-Bis(2-(5-phenyloxazolyl))benzene
• 2,2'-p-Phenylenebis(5-phenyloxazole)
• 2,2'-(1,4-Phenylene)bis(5-phenyl)oxazole

• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-7.55		Relay (1.0) Calculated Property
logPoct/wat	6.331		Crippen Calculated Property
McVol	270.520	ml/mol	McGowan Calculated Property
Inp	[3525.00; 3525.00]
Inp	3525.00		NIST
Inp	3525.00		NIST
Inp	3525.00		NIST
Tboil	775.69	K	Relay (1.0) Calculated Property
Tfus	469.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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
ΔsubH	[94.40; 140.00]	kJ/mol	[480.00; 640.00]
ΔsubH	140.00	kJ/mol	480.00	NIST
ΔsubH	94.40	kJ/mol	640.00	NIST

Similar Compounds

Find more compounds similar to 1,4-BIS(5-PHENYLOXAZOL)BENZENE.

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
• 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.