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

L-isoleucine, n-heptafluorobutyryl-, propyl ester

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InChI
InChI=1S/C13H18F7NO3/c1-4-6-24-9(22)8(7(3)5-2)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)
InChI Key
DUFVIJNGFUKOEC-UHFFFAOYSA-N
Formula
C13H18F7NO3
SMILES
CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)CC
Molecular Weight1
369.28
Sources

Physical Properties

Property Value Unit Source
Δf -1574.90 kJ/mol Joback Calculated Property
Δfgas -2025.14 kJ/mol Joback Calculated Property
Δfus 31.18 kJ/mol Joback Calculated Property
Δvap 56.49 kJ/mol Joback Calculated Property
logPoct/wat 3.30 Crippen Calculated Property
Pc 1495.35 kPa Joback Calculated Property
Tboil 661.49 K Joback Calculated Property
Tc 827.12 K Joback Calculated Property
Tfus 392.41 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 662.12 J/mol×K 661.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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