Chemical Properties of L-valine, n-heptafluorobutyryl-, isobutyl ester

L-valine, n-heptafluorobutyryl-, isobutyl ester

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InChI
InChI=1S/C13H18F7NO3/c1-6(2)5-24-9(22)8(7(3)4)21-10(23)11(14,15)12(16,17)13(18,19)20/h6-8H,5H2,1-4H3,(H,21,23)
InChI Key
DVJZJVCXAFDQLN-UHFFFAOYSA-N
Formula
C13H18F7NO3
SMILES
CC(C)COC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
Molecular Weight1
369.28
Other Names
  • Val, iso-Bu, HFB
  • Val, isobutyl ester, HFB
Sources

Physical Properties

Property Value Unit Source
Δf -1577.34 kJ/mol Joback Calculated Property
Δfgas -2030.42 kJ/mol Joback Calculated Property
Δfus 27.66 kJ/mol Joback Calculated Property
Δvap 56.10 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 1504.65 kPa Joback Calculated Property
Tboil 661.05 K Joback Calculated Property
Tc 828.60 K Joback Calculated Property
Tfus 377.41 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 662.59 J/mol×K 661.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 1
-F 7
>NH 1
-CH2- 1
>C< 3
-CH3 4
>C=O (nonring) 2

Similar Compounds

L-valine, n-heptafluorobutyryl-, pentyl ester. L-Valine, N-heptafluorobutyryl-, heptyl ester. L-valine, n-heptafluorobutyryl-, heptadecyl ester. L-valine, n-heptafluorobutyryl-, hexadecyl ester. L-valine, n-heptafluorobutyryl-, octadecyl ester. L-valine, n-heptafluorobutyryl-, tetradecyl ester. L-valine, n-heptafluorobutyryl-, nonyl ester. L-valine, n-heptafluorobutyryl-, undecyl ester. L-isoleucine, n-heptafluorobutyryl-, propyl ester. L-isoleucine, n-heptafluorobutyryl-, heptyl ester. L-isoleucine, n-heptafluorobutyryl-, hexadecyl ester. L-isoleucine, n-heptafluorobutyryl-, pentadecyl ester. L-isoleucine, n-heptafluorobutyryl-, nonyl ester. L-isoleucine, n-heptafluorobutyryl-, decyl ester. L-isoleucine, n-heptafluorobutyryl-, octyl ester.

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