Chemical Properties of Diethylmalonic acid, 3-fluorophenyl hexyl ester

Diethylmalonic acid, 3-fluorophenyl hexyl ester

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InChI
InChI=1S/C19H27FO4/c1-4-7-8-9-13-23-17(21)19(5-2,6-3)18(22)24-16-12-10-11-15(20)14-16/h10-12,14H,4-9,13H2,1-3H3
InChI Key
FQCVEMIQGRDCER-UHFFFAOYSA-N
Formula
C19H27FO4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(F)c1
Molecular Weight1
338.41
Sources

Physical Properties

Property Value Unit Source
Δf -447.93 kJ/mol Joback Calculated Property
Δfgas -904.89 kJ/mol Joback Calculated Property
Δfus 39.86 kJ/mol Joback Calculated Property
Δvap 77.02 kJ/mol Joback Calculated Property
logPoct/wat 4.66 Crippen Calculated Property
Pc 1413.31 kPa Joback Calculated Property
Tboil 814.40 K Joback Calculated Property
Tc 1014.68 K Joback Calculated Property
Tfus 490.16 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 827.83 J/mol×K 814.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 7
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, 3-fluorophenyl pentyl ester. Diethylmalonic acid, 3-fluorophenyl undecyl ester. Diethylmalonic acid, dodecyl 3-fluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl nonyl ester. Diethylmalonic acid, decyl 3-fluorophenyl ester. Diethylmalonic acid, butyl 3-fluorophenyl ester. Diethylmalonic acid, 3-fluorophenyl propyl ester. Diethylmalonic acid, 3-fluorophenyl isobutyl ester. Diethylmalonic acid, hexyl 4-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl pentyl ester. Diethylmalonic acid, heptyl 4-methoxyphenyl ester. Diethylmalonic acid, 4-methoxyphenyl nonyl ester. Diethylmalonic acid, 4-methoxyphenyl octyl ester. Diethylmalonic acid, decyl 4-methoxyphenyl ester. Diethylmalonic acid, butyl 4-methoxyphenyl ester.

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