Chemical Properties of Aniline, N-(p-methoxybenzylidene)-p-nitro- (CAS 15450-66-5)

InChI

InChI=1S/C14H12N2O3/c1-19-14-8-2-11(3-9-14)10-15-12-4-6-13(7-5-12)16(17)18/h2-10H,1H3

InChI Key

YZJSVLVRDFIMHX-UHFFFAOYSA-N

Formula

C14H12N2O3

SMILES

COc1ccc(C=Nc2ccc([N+](=O)[O-])cc2)cc1

Molecular Weight¹

256.26

CAS

15450-66-5

Other Names

• Benzenamine, N-((4-methoxyphenyl)methylene)-4-nitro-
• N-(p-Methoxybenzylidene)-p-nitroaniline
• 4-(4-Methoxybenzylideneamino)nitrobenzene
• N-[(4-Methoxyphenyl)methylidene]-4-nitroaniline
• p-Methoxybenzylidene-(4-nitrophenyl)-amine

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7215		Relay (1.0) Calculated Property
ΔfG°	287.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	100.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.82	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	3.354		Crippen Calculated Property
McVol	189.570	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[2542.00; 2542.00]
Inp	2542.00		NIST
Inp	2542.00		NIST
Tboil	655.53	K	Relay (1.0) Calculated Property
Tc	928.68	K	Relay (1.0) Calculated Property
Tfus	409.87	K	Relay (1.0) Calculated Property
Vc	0.661	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Aniline, N-(p-methoxybenzylidene)-p-nitro-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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