Chemical Properties of p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C14H19FN2O2/c1-4-19-14(18)13(16-10-17(2)3)9-11-5-7-12(15)8-6-11/h5-8,10,13H,4,9H2,1-3H3

InChI Key

SQUXCQFPSHYGFL-UHFFFAOYSA-N

Formula

C14H19FN2O2

SMILES

CCOC(=O)C(Cc1ccc(F)cc1)N=CN(C)C

Molecular Weight¹

266.31

• Δ_fH°_gas : Enthalpy of formation 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-403.67	kJ/mol	Joback Calculated Property
ΔvapH°	63.00	kJ/mol	Joback Calculated Property
log10WS	-2.32		Crippen Calculated Property
logPoct/wat	1.890		Crippen Calculated Property
McVol	209.230	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[1798.00; 1798.00]
Inp	1798.00		NIST
Inp	1798.00		NIST
Tboil	715.62	K	Joback Calculated Property
Tc	922.86	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Fluoro-L-phenylalanine, N-dimethylaminomethylene-, ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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