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

InChI

InChI=1S/C16H26F3N3O6/c1-9(27-6)12(14(25)28-7)22(5)13(24)10(8-11(23)20(2)3)21(4)15(26)16(17,18)19/h9-10,12H,8H2,1-7H3

InChI Key

GNOCYVMVJWPDJH-UHFFFAOYSA-N

Formula

C16H26F3N3O6

SMILES

COC(=O)C(C(C)OC)N(C)C(=O)C(CC(=O)N(C)C)N(C)C(=O)C(F)(F)F

Molecular Weight¹

413.39

• 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°	-898.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1498.66	kJ/mol	Joback Calculated Property
ΔfusH°	46.29	kJ/mol	Joback Calculated Property
ΔvapH°	84.23	kJ/mol	Joback Calculated Property
log10WS	-0.50		Crippen Calculated Property
logPoct/wat	-0.111		Crippen Calculated Property
McVol	289.570	ml/mol	McGowan Calculated Property
Pc	1441.35	kPa	Joback Calculated Property
Inp	[2131.00; 2200.00]
Inp	2131.00		NIST
Inp	2200.00		NIST
Inp	2131.00		NIST
Tboil	856.38	K	Joback Calculated Property
Tc	1050.45	K	Joback Calculated Property
Tfus	570.86	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.06; 990.25]	J/mol×K	[856.38; 1050.45]
Cp,gas	924.06	J/mol×K	856.38	Joback Calculated Property
Cp,gas	937.53	J/mol×K	888.72	Joback Calculated Property
Cp,gas	949.97	J/mol×K	921.07	Joback Calculated Property
Cp,gas	961.41	J/mol×K	953.41	Joback Calculated Property
Cp,gas	971.91	J/mol×K	985.76	Joback Calculated Property
Cp,gas	981.50	J/mol×K	1018.10	Joback Calculated Property
Cp,gas	990.25	J/mol×K	1050.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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