Chemical Properties of Glycine, N-(4-butylbenzoyl)-, methyl ester

InChI

InChI=1S/C14H19NO3/c1-3-4-5-11-6-8-12(9-7-11)14(17)15-10-13(16)18-2/h6-9H,3-5,10H2,1-2H3,(H,15,17)

InChI Key

GYVUQPUYNXARTH-UHFFFAOYSA-N

Formula

C14H19NO3

SMILES

CCCCc1ccc(C(=O)NCC(=O)OC)cc1

Molecular Weight¹

249.31

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.21; 654.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.11400e+00
Coefficient B			1.18884e+00
Coefficient C			-6.37260e-04
Coefficient D			1.00360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.21	J/mol×K	273.00	Calculated Property
Cp,gas	347.38	J/mol×K	353.78	Calculated Property
Cp,gas	406.63	J/mol×K	434.56	Calculated Property
Cp,gas	459.26	J/mol×K	515.33	Calculated Property
Cp,gas	505.60	J/mol×K	596.11	Calculated Property
Cp,gas	545.97	J/mol×K	676.89	Calculated Property
Cp,gas	580.68	J/mol×K	757.67	Calculated Property
Cp,gas	610.06	J/mol×K	838.44	Calculated Property
Cp,gas	634.41	J/mol×K	919.22	Calculated Property
Cp,gas	654.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-(4-butylbenzoyl)-, methyl 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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