Chemical Properties of Cyclohexanone--2-carboxylic acid, benzyl ester (CAS 2205-32-5)

InChI

InChI=1S/C14H16O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2

InChI Key

UZOGMVJYLSQKCU-UHFFFAOYSA-N

Formula

C14H16O3

SMILES

O=C1CCCCC1C(=O)OCc1ccccc1

Molecular Weight¹

232.28

CAS

2205-32-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[518.18; 605.03]	J/mol×K	[710.06; 956.53]
Cp,gas	518.18	J/mol×K	710.06	Joback Calculated Property
Cp,gas	536.39	J/mol×K	751.14	Joback Calculated Property
Cp,gas	553.11	J/mol×K	792.22	Joback Calculated Property
Cp,gas	568.32	J/mol×K	833.29	Joback Calculated Property
Cp,gas	582.04	J/mol×K	874.37	Joback Calculated Property
Cp,gas	594.27	J/mol×K	915.45	Joback Calculated Property
Cp,gas	605.03	J/mol×K	956.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone--2-carboxylic acid, benzyl 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
• Joback Method
• McGowan Method
• NIST Webbook

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