Chemical Properties of Benzenamine, N-[(4-methoxyphenyl)methylidene]-3-nitro-

InChI

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

InChI Key

CXQRCMDXOBUAQA-UHFFFAOYSA-N

Formula

C14H12N2O3

SMILES

COc1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1

Molecular Weight¹

256.26

Other Names

• p-methoxybenzylidene-(3-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	0.7152		Relay (1.0) Calculated Property
ΔfG°	286.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	100.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-4.57		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	[2506.00; 2506.00]
Inp	2506.00		NIST
Inp	2506.00		NIST
Tboil	655.37	K	Relay (1.0) Calculated Property
Tc	931.70	K	Relay (1.0) Calculated Property
Tfus	387.20	K	Relay (1.0) Calculated Property
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N-[(4-methoxyphenyl)methylidene]-3-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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