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

L-valine, n-heptafluorobutyryl-, octadecyl ester

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InChI
InChI=1S/C27H46F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-23(36)22(21(2)3)35-24(37)25(28,29)26(30,31)27(32,33)34/h21-22H,4-20H2,1-3H3,(H,35,37)
InChI Key
ZPMIUNZCRHHDPP-UHFFFAOYSA-N
Formula
C27H46F7NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
Molecular Weight1
565.65
Sources

Physical Properties

Property Value Unit Source
Δf -1457.02 kJ/mol Joback Calculated Property
Δfgas -2314.10 kJ/mol Joback Calculated Property
Δfus 67.44 kJ/mol Joback Calculated Property
Δvap 87.65 kJ/mol Joback Calculated Property
logPoct/wat 8.76 Crippen Calculated Property
Pc 647.46 kPa Joback Calculated Property
Tboil 981.81 K Joback Calculated Property
Tc 1229.03 K Joback Calculated Property
Tfus 550.19 K Joback Calculated Property
Vc 1.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1490.72 J/mol×K 981.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
-CH2- 17
-F 7
>C< 3
>NH 1
>C=O (nonring) 2

Similar Compounds

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

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