Chemical Properties of Ethyl 3-bromo-4,6-dimethyl-2H-pyran-5-carboxylate (CAS 18152-79-9)

InChI

InChI=1S/C10H11BrO4/c1-4-14-9(12)7-5(2)8(11)10(13)15-6(7)3/h4H2,1-3H3

InChI Key

YMOPMHLWTLUFGX-UHFFFAOYSA-N

Formula

C10H11BrO4

SMILES

CCOC(=O)c1c(C)oc(=O)c(Br)c1C

Molecular Weight¹

275.10

CAS

18152-79-9

Other Names

• 3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone
• 2H-Pyrane-5-carboxylic acid, 3-bromo-4,6-dimethyl-2-oxo-, ethyl ester

• 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 Ethyl 3-bromo-4,6-dimethyl-2H-pyran-5-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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