Chemical Properties of Diethylmalonic acid, pentafluorophenyl pentyl ester

Diethylmalonic acid, pentafluorophenyl pentyl ester

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InChI
InChI=1S/C18H21F5O4/c1-4-7-8-9-26-16(24)18(5-2,6-3)17(25)27-15-13(22)11(20)10(19)12(21)14(15)23/h4-9H2,1-3H3
InChI Key
ZWDDBUWCOKUEIE-UHFFFAOYSA-N
Formula
C18H21F5O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
396.35
Sources

Physical Properties

Property Value Unit Source
Δf -1274.11 kJ/mol Joback Calculated Property
Δfgas -1714.57 kJ/mol Joback Calculated Property
Δfus 48.03 kJ/mol Joback Calculated Property
Δvap 74.18 kJ/mol Joback Calculated Property
logPoct/wat 4.83 Crippen Calculated Property
Pc 1271.87 kPa Joback Calculated Property
Tboil 808.52 K Joback Calculated Property
Tc 995.69 K Joback Calculated Property
Tfus 531.33 K Joback Calculated Property
Vc 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 797.24 J/mol×K 808.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=C< (ring) 6
-CH2- 6
-F 5
>C< 1
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, nonyl pentafluorophenyl ester. Diethylmalonic acid, pentafluorophenyl tridecyl ester. Diethylmalonic acid, dodecyl pentafluorophenyl ester. Diethylmalonic acid, hexadecyl pentafluorophenyl ester. Diethylmalonic acid, heptadecyl pentafluorophenyl ester. Diethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, propyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Diethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, isobutyl 2,3,4-trifluorophenyl ester.

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