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

InChI

InChI=1S/C15H22F6N2O4/c1-3-4-9-27-11(24)10(23(2)13(26)15(19,20)21)7-5-6-8-22-12(25)14(16,17)18/h10H,3-9H2,1-2H3,(H,22,25)

InChI Key

DBVNRNMBQDPRTG-UHFFFAOYSA-N

Formula

C15H22F6N2O4

SMILES

CCCCOC(=O)C(CCCCNC(=O)C(F)(F)F)N(C)C(=O)C(F)(F)F

Molecular Weight¹

408.34

• 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	0.8321		Relay (... Calculated Property
ΔfG°	-1381.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-2065.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.84	kJ/mol	Joback Calculated Property
ΔvapH°	85.11	kJ/mol	Relay (... Calculated Property
IE	9.29	eV	Relay (... Calculated Property
log10WS	-3.42		Relay (... Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	263.370	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[1851.00; 1851.00]
Inp	1851.00		NIST
Inp	1851.00		NIST
Tboil	553.82	K	Relay (... Calculated Property
Tc	724.21	K	Relay (... Calculated Property
Tfus	321.05	K	Relay (... Calculated Property
Vc	0.962	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[819.70; 886.49]	J/mol×K	[777.96; 955.18]
Cp,gas	819.70	J/mol×K	777.96	Joback Calculated Property
Cp,gas	832.77	J/mol×K	807.50	Joback Calculated Property
Cp,gas	845.00	J/mol×K	837.03	Joback Calculated Property
Cp,gas	856.43	J/mol×K	866.57	Joback Calculated Property
Cp,gas	867.13	J/mol×K	896.11	Joback Calculated Property
Cp,gas	877.14	J/mol×K	925.64	Joback Calculated Property
Cp,gas	886.49	J/mol×K	955.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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