Chemical Properties of L-isoleucine, n-heptafluorobutyryl-, octyl ester

L-isoleucine, n-heptafluorobutyryl-, octyl ester

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InChI
InChI=1S/C18H28F7NO3/c1-4-6-7-8-9-10-11-29-14(27)13(12(3)5-2)26-15(28)16(19,20)17(21,22)18(23,24)25/h12-13H,4-11H2,1-3H3,(H,26,28)
InChI Key
VIRRLCOMTMVYSF-UHFFFAOYSA-N
Formula
C18H28F7NO3
SMILES
CCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)CC
Molecular Weight1
439.41
Sources

Physical Properties

Property Value Unit Source
Δf -1532.80 kJ/mol Joback Calculated Property
Δfgas -2128.34 kJ/mol Joback Calculated Property
Δfus 44.13 kJ/mol Joback Calculated Property
Δvap 67.62 kJ/mol Joback Calculated Property
logPoct/wat 5.25 Crippen Calculated Property
Pc 1063.79 kPa Joback Calculated Property
Tboil 775.89 K Joback Calculated Property
Tc 951.43 K Joback Calculated Property
Tfus 448.76 K Joback Calculated Property
Vc 1.19 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 939.82 J/mol×K 775.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
-CH2- 8
-F 7
>C< 3
>NH 1
>C=O (nonring) 2

Similar Compounds

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

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