Chemical Properties of Benzoic acid, p-[[(dimethylamino)methylene]amino]-, methyl ester (CAS 29390-16-7)

InChI

InChI=1S/C11H14N2O2/c1-13(2)8-12-10-6-4-9(5-7-10)11(14)15-3/h4-8H,1-3H3

InChI Key

NQVUPXYJLAGUBE-UHFFFAOYSA-N

Formula

C11H14N2O2

SMILES

COC(=O)c1ccc(N=CN(C)C)cc1

Molecular Weight¹

206.24

CAS

29390-16-7

Other Names

• 4-Aminobenzoic acid, N-dimethylaminomethylene-, methyl ester

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-140.36	kJ/mol	Joback Calculated Property
ΔvapH°	57.53	kJ/mol	Joback Calculated Property
log10WS	-1.77		Crippen Calculated Property
logPoct/wat	1.695		Crippen Calculated Property
McVol	165.190	ml/mol	McGowan Calculated Property
Pc	2453.17	kPa	Joback Calculated Property
Inp	[1910.00; 1910.00]
Inp	1910.00		NIST
Inp	1910.00		NIST
Tboil	648.15	K	Joback Calculated Property
Tc	870.46	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, p-[[(dimethylamino)methylene]amino]-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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