Chemical Properties of o-Anisic acid, 4-cyanophenyl ester

InChI

InChI=1S/C15H11NO3/c1-18-14-5-3-2-4-13(14)15(17)19-12-8-6-11(10-16)7-9-12/h2-9H,1H3

InChI Key

OUGMXEXLTZKKID-UHFFFAOYSA-N

Formula

C15H11NO3

SMILES

COc1ccccc1C(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

253.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.76; 557.84]	J/mol×K	[788.84; 1033.33]
Cp,gas	505.76	J/mol×K	788.84	Joback Calculated Property
Cp,gas	517.35	J/mol×K	829.59	Joback Calculated Property
Cp,gas	527.75	J/mol×K	870.34	Joback Calculated Property
Cp,gas	536.98	J/mol×K	911.08	Joback Calculated Property
Cp,gas	545.06	J/mol×K	951.83	Joback Calculated Property
Cp,gas	552.00	J/mol×K	992.58	Joback Calculated Property
Cp,gas	557.84	J/mol×K	1033.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to o-Anisic acid, 4-cyanophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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