Chemical Properties of Lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI

InChI=1S/C24H31F6N3O6/c1-31(21(36)23(25,26)27)13-7-6-8-17(33(3)22(37)24(28,29)30)19(34)32(2)18(20(35)39-5)14-15-9-11-16(38-4)12-10-15/h9-12,17-18H,6-8,13-14H2,1-5H3

InChI Key

YELVAZIGNWFQKJ-UHFFFAOYSA-N

Formula

C24H31F6N3O6

SMILES

COC(=O)C(Cc1ccc(OC)cc1)N(C)C(=O)C(CCCCN(C)C(=O)C(F)(F)F)N(C)C(=O)C(F)(F)F

Molecular Weight¹

571.51

• 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).
• 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
ΔfG°	-1307.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-2030.52	kJ/mol	Joback Calculated Property
ΔfusH°	66.01	kJ/mol	Joback Calculated Property
ΔvapH°	101.62	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	2.818		Crippen Calculated Property
McVol	383.840	ml/mol	McGowan Calculated Property
Pc	970.49	kPa	Joback Calculated Property
Inp	[2813.00; 2888.00]
Inp	2813.00		NIST
Inp	2888.00		NIST
Inp	2813.00		NIST
Tboil	1066.10	K	Joback Calculated Property
Tc	1319.17	K	Joback Calculated Property
Tfus	719.15	K	Joback Calculated Property
Vc	1.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1313.72; 1380.37]	J/mol×K	[1066.10; 1319.17]
Cp,gas	1313.72	J/mol×K	1066.10	Joback Calculated Property
Cp,gas	1327.28	J/mol×K	1108.28	Joback Calculated Property
Cp,gas	1339.61	J/mol×K	1150.46	Joback Calculated Property
Cp,gas	1350.90	J/mol×K	1192.64	Joback Calculated Property
Cp,gas	1361.33	J/mol×K	1234.82	Joback Calculated Property
Cp,gas	1371.09	J/mol×K	1276.99	Joback Calculated Property
Cp,gas	1380.37	J/mol×K	1319.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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