Chemical Properties of Norleucine, N-trifluoroacetyl, 1-methylethyl ester

InChI

InChI=1S/C11H18F3NO3/c1-4-5-6-8(9(16)18-7(2)3)15-10(17)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)

InChI Key

HYRZCTVPACSGPE-UHFFFAOYSA-N

Formula

C11H18F3NO3

SMILES

CCCCC(NC(=O)C(F)(F)F)C(=O)OC(C)C

Molecular Weight¹

269.26

• 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°	-818.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1181.92	kJ/mol	Joback Calculated Property
ΔfusH°	28.51	kJ/mol	Joback Calculated Property
ΔvapH°	57.89	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	2.175		Crippen Calculated Property
McVol	190.150	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[1203.00; 1203.00]
Inp	1203.00		NIST
Inp	1203.00		NIST
Tboil	625.11	K	Joback Calculated Property
Tc	800.08	K	Joback Calculated Property
Tfus	362.67	K	Joback Calculated Property
Vc	0.748	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.28; 590.29]	J/mol×K	[625.11; 800.08]
Cp,gas	520.28	J/mol×K	625.11	Joback Calculated Property
Cp,gas	533.65	J/mol×K	654.27	Joback Calculated Property
Cp,gas	546.31	J/mol×K	683.43	Joback Calculated Property
Cp,gas	558.29	J/mol×K	712.59	Joback Calculated Property
Cp,gas	569.59	J/mol×K	741.76	Joback Calculated Property
Cp,gas	580.25	J/mol×K	770.92	Joback Calculated Property
Cp,gas	590.29	J/mol×K	800.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norleucine, N-trifluoroacetyl, 1-methylethyl ester.

Sources

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

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