Chemical Properties of Benzylidene-(4-nitrophenyl)-amine (CAS 69173-79-1)

InChI

InChI=1S/C13H10N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10H

InChI Key

NYJOAZXGKLCRSV-UHFFFAOYSA-N

Formula

C13H10N2O2

SMILES

O=[N+]([O-])c1ccc(N=Cc2ccccc2)cc1

Molecular Weight¹

226.23

CAS

69173-79-1

Other Names

• Benzenamine, 4-nitro-N-(phenylmethylene)-

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	248.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.02	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 8.76]	eV
IE	8.40	eV	NIST
IE	8.76	eV	NIST
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	3.345		Crippen Calculated Property
McVol	169.610	ml/mol	McGowan Calculated Property
Inp	[2259.00; 2259.00]
Inp	2259.00		NIST
Inp	2259.00		NIST
Tboil	626.68	K	Relay (1.0) Calculated Property
Tfus	400.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 Benzylidene-(4-nitrophenyl)-amine.

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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