Chemical Properties of 3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester (CAS 6148-34-1)

InChI

InChI=1S/C8H10O3/c1-5-4-7(6(2)11-5)8(9)10-3/h4H,1-3H3

InChI Key

MNFOIGQBJZVPCS-UHFFFAOYSA-N

Formula

C8H10O3

SMILES

COC(=O)c1cc(C)oc1C

Molecular Weight¹

154.16

CAS

6148-34-1

Other Names

• 3-Furoic acid, 2,5-dimethyl-, methyl ester
• Methyl 2,5-dimethyl-3-furancarboxylate
• Methyl 2,5-dimethyl-3-furoate
• Methyl 2,5-dimethylfuran-3-carboxylate

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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 3-Furancarboxylic acid, 2,5-dimethyl-, methyl 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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