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

InChI

InChI=1S/C16H24N2O2/c1-4-5-11-20-16(19)15(17-13-18(2)3)12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3

InChI Key

NYEHPAUBKFWVRE-UHFFFAOYSA-N

Formula

C16H24N2O2

SMILES

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

Molecular Weight¹

276.38

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6999		Relay (1.0) Calculated Property
ΔfH°gas	-293.18	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.53	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	2.531		Crippen Calculated Property
McVol	235.640	ml/mol	McGowan Calculated Property
Pc	1578.46	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	612.47	K	Relay (1.0) Calculated Property
Tc	818.92	K	Relay (1.0) Calculated Property
Tfus	277.96	K	Relay (1.0) Calculated Property
Vc	0.850	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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