Chemical Properties of Methyl 2,5-dichlorothiophene-3-carboxylate (CAS 145129-54-0)

InChI

InChI=1S/C6H4Cl2O2S/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3

InChI Key

VCXPHMKCDRPIDG-UHFFFAOYSA-N

Formula

C6H4Cl2O2S

SMILES

COC(=O)c1cc(Cl)sc1Cl

Molecular Weight¹

211.07

CAS

145129-54-0

• 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 Methyl 2,5-dichlorothiophene-3-carboxylate.

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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