Chemical Properties of 3-Amino-2,5-dichlorobenzoic acid, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C12H14Cl2N2O2/c1-4-18-12(17)9-5-8(13)6-10(11(9)14)15-7-16(2)3/h5-7H,4H2,1-3H3

InChI Key

FEAXMWOCNZRBLT-UHFFFAOYSA-N

Formula

C12H14Cl2N2O2

SMILES

CCOC(=O)c1cc(Cl)cc(N=CN(C)C)c1Cl

Molecular Weight¹

289.16

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 3-Amino-2,5-dichlorobenzoic acid, N-dimethylaminomethylene-, ethyl ester.

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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