Chemical Properties of L-Norleucine, N-(trifluoroacetyl)-, butyl ester (CAS 55044-47-8)

InChI

InChI=1S/C12H20F3NO3/c1-3-5-7-9(10(17)19-8-6-4-2)16-11(18)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,18)/t9-/m1/s1

InChI Key

BFNUVLVKIQRVPV-SECBINFHSA-N

Formula

C12H20F3NO3

SMILES

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

Molecular Weight¹

283.29

CAS

55044-47-8

Other Names

• Norleu, butyl ester, TFA
• Norleu, butyl ester, N-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	0.6688		Relay (1.0) Calculated Property
ΔfG°	-807.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1343.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.62	kJ/mol	Joback Calculated Property
ΔvapH°	69.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	2.567		Crippen Calculated Property
McVol	204.240	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[1389.00; 1389.00]
Inp	1389.00		NIST
Inp	1389.00		NIST
Tboil	508.19	K	Relay (1.0) Calculated Property
Tc	662.73	K	Relay (1.0) Calculated Property
Tfus	306.61	K	Relay (1.0) Calculated Property
Vc	0.742	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.42; 643.13]	J/mol×K	[648.43; 820.28]
Cp,gas	571.42	J/mol×K	648.43	Joback Calculated Property
Cp,gas	585.08	J/mol×K	677.07	Joback Calculated Property
Cp,gas	598.02	J/mol×K	705.71	Joback Calculated Property
Cp,gas	610.27	J/mol×K	734.36	Joback Calculated Property
Cp,gas	621.86	J/mol×K	763.00	Joback Calculated Property
Cp,gas	632.81	J/mol×K	791.64	Joback Calculated Property
Cp,gas	643.13	J/mol×K	820.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norleucine, N-(trifluoroacetyl)-, butyl ester.

Sources

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

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