Chemical Properties of L-valine, n-(trifluoroacetyl)-, butyl ester (CAS 1478-96-2)

L-valine, n-(trifluoroacetyl)-, butyl ester

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InChI
InChI=1S/C11H18F3NO3/c1-4-5-6-18-9(16)8(7(2)3)15-10(17)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)/t8-/m1/s1
InChI Key
JYZZGZVAOFYMDY-MRVPVSSYSA-N
Formula
C11H18F3NO3
SMILES
CCCCOC(=O)C(NC(=O)C(F)(F)F)C(C)C
Molecular Weight1
269.26
CAS
1478-96-2
Other Names
  • N-Trifluoroacetyl-n-butyl ester of valine
  • Val TFA Bu
  • Val, butyl ester, TFA
Sources

Physical Properties

Property Value Unit Source
Δf -818.18 kJ/mol Joback Calculated Property
Δfgas -1181.92 kJ/mol Joback Calculated Property
Δfus 28.51 kJ/mol Joback Calculated Property
Δvap 57.90 kJ/mol Joback Calculated Property
logPoct/wat 2.03 Crippen Calculated Property
Pc 1971.80 kPa Joback Calculated Property
Tboil 625.11 K Joback Calculated Property
Tc 800.08 K Joback Calculated Property
Tfus 362.67 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 520.28 J/mol×K 625.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
-CH2- 3
-F 3
>C< 1
>NH 1
>C=O (nonring) 2

Similar Compounds

L-norleucine, n-(trifluoroacetyl)-, butyl ester. L-methionine, n-(trifluoroacetyl)-, butyl ester. L-threonine, n-(trifluoroacetyl)-, butyl ester. L-ornithine, n2,n5-bis(trifluoroacetyl)-, butyl ester. 2-Aminoadipic acid, n-trifluoroacetyl-, di-n-butyl ester. Norvaline, N-trifluoroacetyl, 1-methylethyl ester. L-alanine, n-(trifluoroacetyl)-, butyl ester. L-Glutamic acid, N-(trifluoroacetyl)-, dibutyl ester. Alanine, 2-methyl-n-(trifluoroacetyl)-, butyl ester. Ser TFA Bu. leucine, trifluoroacetyl-isopropyl ester. Norleucine, N-trifluoroacetyl, 1-methylethyl ester. L-aspartic acid, n-(trifluoroacetyl)-, dibutyl ester. L-isoleucine, n-trifluoroacetyl-, 2,2,3,3,3-pentafluoropropyl ester. Aspartic acid, n-(trifluoroacetyl)-, 1-ethyl ester.

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