Chemical Properties of D-p-Chlorophenylalanine, N-dimethylaminomethylene-, methyl ester

InChI

InChI=1S/C13H17ClN2O2/c1-16(2)9-15-12(13(17)18-3)8-10-4-6-11(14)7-5-10/h4-7,9,12H,8H2,1-3H3

InChI Key

PCXLDSNKICKJPT-UHFFFAOYSA-N

Formula

C13H17ClN2O2

SMILES

COC(=O)C(Cc1ccc(Cl)cc1)N=CN(C)C

Molecular Weight¹

268.74

• 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	-202.66	kJ/mol	Joback Calculated Property
ΔvapH°	65.98	kJ/mol	Joback Calculated Property
log10WS	-2.26		Crippen Calculated Property
logPoct/wat	2.014		Crippen Calculated Property
McVol	205.610	ml/mol	McGowan Calculated Property
Pc	1992.98	kPa	Joback Calculated Property
Inp	[1937.00; 1937.00]
Inp	1937.00		NIST
Inp	1937.00		NIST
Tboil	730.90	K	Joback Calculated Property
Tc	952.78	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-p-Chlorophenylalanine, N-dimethylaminomethylene-, methyl ester.

Sources

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

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