Chemical Properties of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester (CAS 487-51-4)

InChI

InChI=1S/C10H14O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h6,9H,3-5H2,1-2H3

InChI Key

VLTANIMRIRCCOQ-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

CCOC(=O)C1CCC(=O)C=C1C

Molecular Weight¹

182.22

CAS

487-51-4

Other Names

• Ethyl 2-methyl-4-oxo-2-cyclohexencarboxylate
• Hagemann's ester
• ethyl 2-methyl-4-oxocyclohex-2-enecarboxylate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.88; 450.31]	J/mol×K	[596.00; 818.34]
Cp,gas	367.88	J/mol×K	596.00	Joback Calculated Property
Cp,gas	383.76	J/mol×K	633.06	Joback Calculated Property
Cp,gas	398.81	J/mol×K	670.11	Joback Calculated Property
Cp,gas	413.02	J/mol×K	707.17	Joback Calculated Property
Cp,gas	426.36	J/mol×K	744.23	Joback Calculated Property
Cp,gas	438.80	J/mol×K	781.29	Joback Calculated Property
Cp,gas	450.31	J/mol×K	818.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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