Chemical Properties of Anthranilic acid, N-dimethylaminomethylene-, ethyl ester

InChI

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

InChI Key

MBSQKNOWVPKJDW-UHFFFAOYSA-N

Formula

C12H16N2O2

SMILES

CCOC(=O)c1ccccc1N=CN(C)C

Molecular Weight¹

220.27

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

Physical Properties

Property	Value	Unit	Source
ω	0.6413		Relay (1.0) Calculated Property
ΔfH°gas	-223.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.05	kJ/mol	Relay (1.0) Calculated Property
IE	7.26	eV	Relay (1.0) Calculated Property
log10WS	-2.78		Relay (1.0) Calculated Property
logPoct/wat	2.085		Crippen Calculated Property
McVol	179.280	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[1790.00; 1790.00]
Inp	1790.00		NIST
Inp	1790.00		NIST
Tboil	592.60	K	Relay (1.0) Calculated Property
Tc	788.52	K	Relay (1.0) Calculated Property
Tfus	315.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 Anthranilic acid, N-dimethylaminomethylene-, ethyl ester.

Sources

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

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