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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ΔfG°	-159.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-715.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.99	kJ/mol	Joback Calculated Property
ΔvapH°	85.81	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	2098.42	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	766.97	K	Relay (1.0) Calculated Property
Tfus	337.43	K	Relay (1.0) Calculated Property
Vc	0.747	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.42; 684.95]	J/mol×K	[726.38; 917.70]
Cp,gas	611.42	J/mol×K	726.38	Joback Calculated Property
Cp,gas	625.63	J/mol×K	758.27	Joback Calculated Property
Cp,gas	639.03	J/mol×K	790.15	Joback Calculated Property
Cp,gas	651.65	J/mol×K	822.04	Joback Calculated Property
Cp,gas	663.50	J/mol×K	853.92	Joback Calculated Property
Cp,gas	674.59	J/mol×K	885.81	Joback Calculated Property
Cp,gas	684.95	J/mol×K	917.70	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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