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

InChI

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

InChI Key

OWQMAKRMHORJCK-UHFFFAOYSA-N

Formula

C11H14N2O2

SMILES

COC(=O)c1ccccc1N=CN(C)C

Molecular Weight¹

206.24

• Δ_fH°_gas : Enthalpy of formation 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
ΔfH°gas	-177.87	kJ/mol	Relay (1.0) Calculated Property
IE	7.26	eV	Relay (1.0) Calculated Property
log10WS	-2.43		Relay (1.0) Calculated Property
logPoct/wat	1.695		Crippen Calculated Property
McVol	165.190	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	579.99	K	Relay (1.0) Calculated Property
Tc	786.99	K	Relay (1.0) Calculated Property
Tfus	325.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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-, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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