Chemical Properties of p-bromobenzylidene-(4-nitrophenyl)-amine

InChI

InChI=1S/C13H9BrN2O2/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)16(17)18/h1-9H

InChI Key

NSGHUWBIFDOYAF-UHFFFAOYSA-N

Formula

C13H9BrN2O2

SMILES

O=[N+]([O-])c1ccc(N=Cc2ccc(Br)cc2)cc1

Molecular Weight¹

305.13

• 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	0.6614		Relay (1.0) Calculated Property
ΔfG°	349.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	242.80	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.108		Crippen Calculated Property
McVol	187.110	ml/mol	McGowan Calculated Property
Pc	2896.73	kPa	Joback Calculated Property
Inp	[2569.00; 2569.00]
Inp	2569.00		NIST
Inp	2569.00		NIST
Tboil	654.50	K	Relay (1.0) Calculated Property
Tc	949.21	K	Relay (1.0) Calculated Property
Tfus	444.70	K	Relay (1.0) Calculated Property
Vc	0.633	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to p-bromobenzylidene-(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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