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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2958		Relay (1.0) Calculated Property
ΔfG°	321.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-305.94	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	133.01	kJ/mol	Relay (1.0) Calculated Property
IE	7.66	eV	Relay (1.0) Calculated Property
log10WS	-8.55		Relay (1.0) Calculated Property
logPoct/wat	9.091		Crippen Calculated Property
McVol	391.130	ml/mol	McGowan Calculated Property
Pc	934.16	kPa	Relay (1.0-beta) Calculated Property
Tboil	731.32	K	Relay (1.0) Calculated Property
Tc	985.00	K	Relay (1.0) Calculated Property
Tfus	331.25	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
Vc	1.446	m3/kmol	Relay (1.0) Calculated Property

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

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