Chemical Properties of N,N-Dimethyl-2-phenyl-N'-(4-bromophenyl)-acetamidine

InChI

InChI=1S/C16H17BrN2/c1-19(2)16(12-13-6-4-3-5-7-13)18-15-10-8-14(17)9-11-15/h3-11H,12H2,1-2H3/b18-16+

InChI Key

LOYWYYHVTOUARA-FBMGVBCBSA-N

Formula

C16H17BrN2

SMILES

CN(C)C(Cc1ccccc1)=Nc1ccc(Br)cc1

Molecular Weight¹

317.22

• 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	0.5845		Relay (1.0) Calculated Property
ΔfG°	392.05	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	278.12	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.89	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	4.283		Crippen Calculated Property
McVol	221.940	ml/mol	McGowan Calculated Property
Pc	2183.60	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	644.74	K	Relay (1.0) Calculated Property
Tc	892.55	K	Relay (1.0) Calculated Property
Tfus	388.45	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethyl-2-phenyl-N'-(4-bromophenyl)-acetamidine.

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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