Chemical Properties of Cyclopentanecarboxylic acid, 1-(2-butenyl)-2-oxo-, ethyl ester, (Z)- (CAS 131534-41-3)

InChI

InChI=1S/C12H18O3/c1-3-5-8-12(11(14)15-4-2)9-6-7-10(12)13/h3,5H,4,6-9H2,1-2H3/b5-3-

InChI Key

MUPFBGVUYDDKGG-HYXAFXHYSA-N

Formula

C12H18O3

SMILES

CC=CCC1(C(=O)OCC)CCCC1=O

Molecular Weight¹

210.27

CAS

131534-41-3

Other Names

• Ethyl 1-[(2Z)-2-butenyl]-2-oxocyclopentanecarboxylate
• cis-Cyclopentanecarboxylic acid, 1-(2-butenyl)-2-oxo-, ethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.01; 550.60]	J/mol×K	[619.88; 839.48]
Cp,gas	460.01	J/mol×K	619.88	Joback Calculated Property
Cp,gas	477.12	J/mol×K	656.48	Joback Calculated Property
Cp,gas	493.30	J/mol×K	693.08	Joback Calculated Property
Cp,gas	508.63	J/mol×K	729.68	Joback Calculated Property
Cp,gas	523.22	J/mol×K	766.28	Joback Calculated Property
Cp,gas	537.18	J/mol×K	802.88	Joback Calculated Property
Cp,gas	550.60	J/mol×K	839.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 1-(2-butenyl)-2-oxo-, ethyl ester, (Z)-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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