Chemical Properties of N,N-Dimethyl-2-phenyl-N'-(3-ethoxyphenyl)-acetamidine

InChI

InChI=1S/C18H22N2O/c1-4-21-17-12-8-11-16(14-17)19-18(20(2)3)13-15-9-6-5-7-10-15/h5-12,14H,4,13H2,1-3H3

InChI Key

MFDYHJYYIJLQDF-UHFFFAOYSA-N

Formula

C18H22N2O

SMILES

CCOc1cccc(N=C(Cc2ccccc2)N(C)C)c1

Molecular Weight¹

282.38

• 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	0.6877		Relay (1.0) Calculated Property
ΔfG°	308.44	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	79.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.23	kJ/mol	Relay (1.0) Calculated Property
IE	7.54	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	238.490	ml/mol	McGowan Calculated Property
Pc	1710.36	kPa	Joback Calculated Property
Inp	[2314.00; 2314.00]
Inp	2314.00		NIST
Inp	2314.00		NIST
Tboil	645.48	K	Relay (1.0) Calculated Property
Tc	872.38	K	Relay (1.0) Calculated Property
Tfus	361.44	K	Relay (1.0) Calculated Property
Vc	0.866	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethyl-2-phenyl-N'-(3-ethoxyphenyl)-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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