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

L-isoleucine, n-heptafluorobutyryl-, hexadecyl ester

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InChI
InChI=1S/C26H44F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-22(35)21(20(3)5-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h20-21H,4-19H2,1-3H3,(H,34,36)
InChI Key
VNGXWCCPKWIZGQ-UHFFFAOYSA-N
Formula
C26H44F7NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)CC
Molecular Weight1
551.62
Sources

Physical Properties

Property Value Unit Source
Δf -1465.44 kJ/mol Joback Calculated Property
Δfgas -2293.46 kJ/mol Joback Calculated Property
Δfus 64.85 kJ/mol Joback Calculated Property
Δvap 85.42 kJ/mol Joback Calculated Property
logPoct/wat 8.37 Crippen Calculated Property
Pc 680.29 kPa Joback Calculated Property
Tboil 958.93 K Joback Calculated Property
Tc 1193.35 K Joback Calculated Property
Tfus 538.92 K Joback Calculated Property
Vc 1.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1427.06 J/mol×K 958.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-F 7
-CH2- 16
>C< 3
>NH 1
>C=O (nonring) 2
-CH3 3

Similar Compounds

L-isoleucine, n-heptafluorobutyryl-, octyl ester. L-isoleucine, n-heptafluorobutyryl-, pentadecyl 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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