Chemical Properties of Lysine, N,N-di(trifluoroacetyl)-, n-butyl ester (CAS 2926-74-1)

InChI

InChI=1S/C14H20F6N2O4/c1-2-3-8-26-10(23)9(22-12(25)14(18,19)20)6-4-5-7-21-11(24)13(15,16)17/h9H,2-8H2,1H3,(H,21,24)(H,22,25)/t9-/m1/s1

InChI Key

TYLLSQHVLXVPTR-SECBINFHSA-N

Formula

C14H20F6N2O4

SMILES

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

Molecular Weight¹

394.31

CAS

2926-74-1

Other Names

• Lys, butyl ester, TFA

• 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	0.8285		Relay (1.0) Calculated Property
ΔfG°	-1411.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-2082.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.33	kJ/mol	Joback Calculated Property
ΔvapH°	87.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.226		Crippen Calculated Property
McVol	249.280	ml/mol	McGowan Calculated Property
Pc	1493.04	kPa	Joback Calculated Property
Inp	[1811.00; 1811.00]
Inp	1811.00		NIST
Inp	1811.00		NIST
Tboil	541.46	K	Relay (1.0) Calculated Property
Tc	729.48	K	Relay (1.0) Calculated Property
Tfus	363.00	K	Relay (1.0) Calculated Property
Vc	0.908	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.70; 839.88]	J/mol×K	[792.81; 973.59]
Cp,gas	778.70	J/mol×K	792.81	Joback Calculated Property
Cp,gas	790.76	J/mol×K	822.94	Joback Calculated Property
Cp,gas	802.02	J/mol×K	853.07	Joback Calculated Property
Cp,gas	812.51	J/mol×K	883.20	Joback Calculated Property
Cp,gas	822.29	J/mol×K	913.33	Joback Calculated Property
Cp,gas	831.40	J/mol×K	943.46	Joback Calculated Property
Cp,gas	839.88	J/mol×K	973.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lysine, N,N-di(trifluoroacetyl)-, n-butyl ester.

Sources

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

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