Chemical Properties of Glycine-threonine-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI

InChI=1S/C22H30F3N3O6/c1-14(33-5)18(28(4)17(29)13-26(2)21(32)22(23,24)25)19(30)27(3)16(20(31)34-6)12-15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3

InChI Key

YNJPSXZBYFXIQK-UHFFFAOYSA-N

Formula

C22H30F3N3O6

SMILES

COC(=O)C(Cc1ccccc1)N(C)C(=O)C(C(C)OC)N(C)C(=O)CN(C)C(=O)C(F)(F)F

Molecular Weight¹

489.49

• 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°	-735.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1385.97	kJ/mol	Joback Calculated Property
ΔfusH°	55.87	kJ/mol	Joback Calculated Property
ΔvapH°	99.86	kJ/mol	Joback Calculated Property
log10WS	-2.12		Crippen Calculated Property
logPoct/wat	1.112		Crippen Calculated Property
McVol	350.350	ml/mol	McGowan Calculated Property
Pc	1206.47	kPa	Joback Calculated Property
Inp	[2582.00; 2665.00]
Inp	2582.00		NIST
Inp	2665.00		NIST
Inp	2582.00		NIST
Tboil	1020.34	K	Joback Calculated Property
Tc	1249.84	K	Joback Calculated Property
Tfus	664.90	K	Joback Calculated Property
Vc	1.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1174.48; 1233.18]	J/mol×K	[1020.34; 1249.84]
Cp,gas	1174.48	J/mol×K	1020.34	Joback Calculated Property
Cp,gas	1187.03	J/mol×K	1058.59	Joback Calculated Property
Cp,gas	1198.33	J/mol×K	1096.84	Joback Calculated Property
Cp,gas	1208.48	J/mol×K	1135.09	Joback Calculated Property
Cp,gas	1217.60	J/mol×K	1173.34	Joback Calculated Property
Cp,gas	1225.80	J/mol×K	1211.59	Joback Calculated Property
Cp,gas	1233.18	J/mol×K	1249.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine-threonine-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

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

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