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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1359.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.68	kJ/mol	Joback Calculated Property
ΔvapH°	68.33	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.423		Crippen Calculated Property
McVol	204.240	ml/mol	McGowan Calculated Property
Inp	[1349.00; 1349.00]
Inp	1349.00		NIST
Inp	1349.00		NIST
Tboil	502.86	K	Relay (1.0) Calculated Property
Tfus	299.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.20; 639.97]	J/mol×K	[630.12; 801.92]
Cp,gas	566.20	J/mol×K	630.12	Joback Calculated Property
Cp,gas	580.34	J/mol×K	658.75	Joback Calculated Property
Cp,gas	593.71	J/mol×K	687.39	Joback Calculated Property
Cp,gas	606.33	J/mol×K	716.02	Joback Calculated Property
Cp,gas	618.24	J/mol×K	744.66	Joback Calculated Property
Cp,gas	629.44	J/mol×K	773.29	Joback Calculated Property
Cp,gas	639.97	J/mol×K	801.92	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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