Chemical Properties of Glycine, N-(2,6-difluorobenzoyl)-, methyl ester

InChI

InChI=1S/C10H9F2NO3/c1-16-8(14)5-13-10(15)9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,15)

InChI Key

VPICUYOQVIUOAG-UHFFFAOYSA-N

Formula

C10H9F2NO3

SMILES

COC(=O)CNC(=O)c1c(F)cccc1F

Molecular Weight¹

229.18

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[215.31; 458.79]	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			3.22310e+01
Coefficient B			7.72920e-01
Coefficient C			-3.85420e-04
Coefficient D			3.90600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.31	J/mol×K	273.00	Calculated Property
Cp,gas	259.16	J/mol×K	353.78	Calculated Property
Cp,gas	298.53	J/mol×K	434.56	Calculated Property
Cp,gas	333.53	J/mol×K	515.33	Calculated Property
Cp,gas	364.29	J/mol×K	596.11	Calculated Property
Cp,gas	390.93	J/mol×K	676.89	Calculated Property
Cp,gas	413.58	J/mol×K	757.67	Calculated Property
Cp,gas	432.36	J/mol×K	838.44	Calculated Property
Cp,gas	447.39	J/mol×K	919.22	Calculated Property
Cp,gas	458.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-(2,6-difluorobenzoyl)-, 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

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