Chemical Properties of 2-(t-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole (CAS 15082-28-7)

InChI

InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3

InChI Key

XZCJVWCMJYNSQO-UHFFFAOYSA-N

Formula

C24H22N2O

SMILES

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1

Molecular Weight¹

354.44

CAS

15082-28-7

Other Names

• 2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole
• 2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4,-oxadiazole
• 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-
• Butyl-PBD
• 1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-(p-tert-butylphenyl)-
• 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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	0.6863		Relay (1.0) Calculated Property
ΔfH°gas	241.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	142.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-7.94		Relay (1.0) Calculated Property
logPoct/wat	6.368		Crippen Calculated Property
McVol	284.110	ml/mol	McGowan Calculated Property
Pc	1429.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[3342.00; 3342.00]
Inp	3342.00		NIST
Inp	3342.00		NIST
Inp	3342.00		NIST
Tboil	736.33	K	Relay (1.0) Calculated Property
Tc	1056.18	K	Relay (1.0) Calculated Property
Tfus	388.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Similar Compounds

Find more compounds similar to 2-(t-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole.

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.
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