Chemical Properties of L-Leucine, N-(trifluoroacetyl)-, butyl ester (CAS 2796-38-5)

InChI

InChI=1S/C12H20F3NO3/c1-4-5-6-19-10(17)9(7-8(2)3)16-11(18)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,18)/t9-/m1/s1

InChI Key

HCVXJFNYTPUOKE-SECBINFHSA-N

Formula

C12H20F3NO3

SMILES

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

Molecular Weight¹

283.29

CAS

2796-38-5

Other Names

• Leucine, N-(trifluoroacetyl)-, butyl ester, L-
• Leu, butyl ester, TFA, (L)-
• Leu, butyl ester, TFA
• Leu TFA Bu

• 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	0.6320		Relay (1.0) Calculated Property
ΔfG°	-809.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1359.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.10	kJ/mol	Joback Calculated Property
ΔvapH°	67.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.423		Crippen Calculated Property
McVol	204.240	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[1349.00; 1349.00]
Inp	1349.00		NIST
Inp	1349.00		NIST
Tboil	502.86	K	Relay (1.0) Calculated Property
Tc	653.28	K	Relay (1.0) Calculated Property
Tfus	303.22	K	Relay (1.0) Calculated Property
Vc	0.731	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.88; 644.55]	J/mol×K	[647.99; 822.24]
Cp,gas	571.88	J/mol×K	647.99	Joback Calculated Property
Cp,gas	585.76	J/mol×K	677.03	Joback Calculated Property
Cp,gas	598.90	J/mol×K	706.07	Joback Calculated Property
Cp,gas	611.33	J/mol×K	735.12	Joback Calculated Property
Cp,gas	623.07	J/mol×K	764.16	Joback Calculated Property
Cp,gas	634.13	J/mol×K	793.20	Joback Calculated Property
Cp,gas	644.55	J/mol×K	822.24	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.