Chemical Properties of 2-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester (CAS 55895-59-5)

InChI

InChI=1S/C13H13NO4/c1-3-18-13(16)9-7-10(15)8-5-4-6-11(17-2)12(8)14-9/h4-7H,3H2,1-2H3,(H,14,15)

InChI Key

CXMNCVQZLHTTBT-UHFFFAOYSA-N

Formula

C13H13NO4

SMILES

CCOC(=O)c1cc(O)c2cccc(OC)c2n1

Molecular Weight¹

247.25

CAS

55895-59-5

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 2-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, 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
• McGowan Method
• NIST Webbook

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