Chemical Properties of 4-Aminobenzoic acid, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C12H16N2O2/c1-4-16-12(15)10-5-7-11(8-6-10)13-9-14(2)3/h5-9H,4H2,1-3H3

InChI Key

GHHKNAGPUBEDLN-UHFFFAOYSA-N

Formula

C12H16N2O2

SMILES

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

Molecular Weight¹

220.27

• ω : Acentric Factor.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6569		Relay (1.0) Calculated Property
ΔvapH°	82.58	kJ/mol	Relay (1.0) Calculated Property
IE	7.31	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	2.085		Crippen Calculated Property
McVol	179.280	ml/mol	McGowan Calculated Property
Pc	2235.52	kPa	Joback Calculated Property
Inp	[1987.00; 1987.00]
Inp	1987.00		NIST
Inp	1987.00		NIST
Tboil	603.84	K	Relay (1.0) Calculated Property
Tc	786.22	K	Relay (1.0) Calculated Property
Tfus	384.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 4-Aminobenzoic acid, N-dimethylaminomethylene-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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