Chemical Properties of DL-Phenylalanine, N-dimethylaminomethylene-, methyl ester

InChI

InChI=1S/C13H18N2O2/c1-15(2)10-14-12(13(16)17-3)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3

InChI Key

LERRDKPNOROUQK-UHFFFAOYSA-N

Formula

C13H18N2O2

SMILES

COC(=O)C(Cc1ccccc1)N=CN(C)C

Molecular Weight¹

234.29

• 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	-175.45	kJ/mol	Joback Calculated Property
ΔvapH°	60.93	kJ/mol	Joback Calculated Property
log10WS	-1.57		Crippen Calculated Property
logPoct/wat	1.361		Crippen Calculated Property
McVol	193.370	ml/mol	McGowan Calculated Property
Pc	2088.84	kPa	Joback Calculated Property
Inp	[1752.00; 1753.00]
Inp	1752.00		NIST
Inp	1753.00		NIST
Inp	1752.00		NIST
Tboil	688.49	K	Joback Calculated Property
Tc	906.57	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Phenylalanine, N-dimethylaminomethylene-, methyl ester.

Sources

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

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