Chemical Properties of N-«alpha»-Acetyl lysine, butyl ester

InChI

InChI=1S/C12H24N2O3/c1-3-4-9-17-12(16)11(14-10(2)15)7-5-6-8-13/h11H,3-9,13H2,1-2H3,(H,14,15)

InChI Key

NHFKYFOFZQOTNF-UHFFFAOYSA-N

Formula

C12H24N2O3

SMILES

CCCCOC(=O)C(CCCCN)NC(C)=O

Molecular Weight¹

244.33

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.7983		Relay (1.0) Calculated Property
ΔfH°gas	-715.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.58	kJ/mol	Joback Calculated Property
ΔvapH°	87.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-1.76		Relay (1.0) Calculated Property
logPoct/wat	0.963		Crippen Calculated Property
McVol	208.910	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[2019.00; 2019.00]
Inp	2019.00		NIST
Inp	2019.00		NIST
Tboil	590.67	K	Relay (1.0) Calculated Property
Tc	769.59	K	Relay (1.0) Calculated Property
Tfus	332.93	K	Relay (1.0) Calculated Property
Vc	0.748	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.22; 680.32]	J/mol×K	[708.51; 897.59]
Cp,gas	606.22	J/mol×K	708.51	Joback Calculated Property
Cp,gas	620.59	J/mol×K	740.02	Joback Calculated Property
Cp,gas	634.14	J/mol×K	771.54	Joback Calculated Property
Cp,gas	646.87	J/mol×K	803.05	Joback Calculated Property
Cp,gas	658.80	J/mol×K	834.56	Joback Calculated Property
Cp,gas	669.94	J/mol×K	866.07	Joback Calculated Property
Cp,gas	680.32	J/mol×K	897.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-«alpha»-Acetyl lysine, butyl ester.

Sources

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

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