Chemical Properties of 4,4'-Bis(octyloxy)azoxybenzene (CAS 25729-12-8)

InChI

InChI=1S/C28H42N2O3/c1-3-5-7-9-11-13-23-32-27-19-15-25(16-20-27)29-30(31)26-17-21-28(22-18-26)33-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3

InChI Key

LMDKWWQEAJSHLR-UHFFFAOYSA-N

Formula

C28H42N2O3

SMILES

CCCCCCCCOc1ccc(N=[N+]([O-])c2ccc(OCCCCCCCC)cc2)cc1

Molecular Weight¹

454.64

CAS

25729-12-8

• Δ_fH°_gas : Enthalpy of formation 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).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-305.94	kJ/mol	Relay (1.0) Calculated Property
IE	7.66	eV	Relay (1.0) Calculated Property
logPoct/wat	9.091		Crippen Calculated Property
McVol	391.130	ml/mol	McGowan Calculated Property
Tboil	731.32	K	Relay (1.0) Calculated Property
Tfus	324.19	K	Relay (1.0) Calculated Property
Ttriple	[353.00; 399.30]	K
Ttriple	353.00 ± 0.10	K	NIST
Ttriple	380.90 ± 0.10	K	NIST
Ttriple	399.30 ± 0.10	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Similar Compounds

Find more compounds similar to 4,4'-Bis(octyloxy)azoxybenzene.

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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