Chemical Properties of p-methoxybenzylidene-(3-bromophenyl)-amine

InChI

InChI=1S/C14H12BrNO/c1-17-14-7-5-11(6-8-14)10-16-13-4-2-3-12(15)9-13/h2-10H,1H3

InChI Key

MHRKDSRHEAVPDU-UHFFFAOYSA-N

Formula

C14H12BrNO

SMILES

COc1ccc(C=Nc2cccc(Br)c2)cc1

Molecular Weight¹

290.15

• 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	0.5933		Relay (1.0) Calculated Property
ΔfG°	206.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	137.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	4.208		Crippen Calculated Property
McVol	189.650	ml/mol	McGowan Calculated Property
Pc	2543.05	kPa	Joback Calculated Property
Inp	[2355.00; 2355.00]
Inp	2355.00		NIST
Inp	2355.00		NIST
Tboil	653.12	K	Relay (1.0) Calculated Property
Tc	888.26	K	Relay (1.0) Calculated Property
Tfus	346.45	K	Relay (1.0) Calculated Property
Vc	0.663	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to p-methoxybenzylidene-(3-bromophenyl)-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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