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

L-isoleucine, n-heptafluorobutyryl-, heptyl ester

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InChI
InChI=1S/C17H26F7NO3/c1-4-6-7-8-9-10-28-13(26)12(11(3)5-2)25-14(27)15(18,19)16(20,21)17(22,23)24/h11-12H,4-10H2,1-3H3,(H,25,27)
InChI Key
YZXBJVKQDRIDBH-UHFFFAOYSA-N
Formula
C17H26F7NO3
SMILES
CCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)CC
Molecular Weight1
425.38
Sources

Physical Properties

Property Value Unit Source
Δf -1541.22 kJ/mol Joback Calculated Property
Δfgas -2107.70 kJ/mol Joback Calculated Property
Δfus 41.54 kJ/mol Joback Calculated Property
Δvap 65.39 kJ/mol Joback Calculated Property
logPoct/wat 4.86 Crippen Calculated Property
Pc 1133.67 kPa Joback Calculated Property
Tboil 753.01 K Joback Calculated Property
Tc 925.32 K Joback Calculated Property
Tfus 437.49 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 882.31 J/mol×K 753.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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