Chemical Properties of Acetic acid, (3-ethyl-4-methyl-7-coumarinyloxy)-, ethyl ester (CAS 116373-43-4)

InChI

InChI=1S/C16H18O5/c1-4-12-10(3)13-7-6-11(8-14(13)21-16(12)18)20-9-15(17)19-5-2/h6-8H,4-5,9H2,1-3H3

InChI Key

QQULBZLVGXDJBG-UHFFFAOYSA-N

Formula

C16H18O5

SMILES

CCOC(=O)COc1ccc2c(C)c(CC)c(=O)oc2c1

Molecular Weight¹

290.31

CAS

116373-43-4

• 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 Acetic acid, (3-ethyl-4-methyl-7-coumarinyloxy)-, 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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