Chemical Properties of Diethylmalonic acid, 3-nitrophenyl pentyl ester

Diethylmalonic acid, 3-nitrophenyl pentyl ester

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InChI
InChI=1S/C18H25NO6/c1-4-7-8-12-24-16(20)18(5-2,6-3)17(21)25-15-11-9-10-14(13-15)19(22)23/h9-11,13H,4-8,12H2,1-3H3
InChI Key
DANFYQFTPRJGPM-UHFFFAOYSA-N
Formula
C18H25NO6
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
351.39
Sources

Physical Properties

Property Value Unit Source
Δf -225.99 kJ/mol Joback Calculated Property
Δfgas -698.90 kJ/mol Joback Calculated Property
Δfus 45.55 kJ/mol Joback Calculated Property
Δvap 92.21 kJ/mol Joback Calculated Property
logPoct/wat 4.04 Crippen Calculated Property
Pc 1591.08 kPa Joback Calculated Property
Tboil 944.09 K Joback Calculated Property
Tc 1171.77 K Joback Calculated Property
Tfus 621.91 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 871.04 J/mol×K 944.09 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 6
>C< 1
-CH3 3

Similar Compounds

Diethylmalonic acid, butyl 3-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl propyl ester. Diethylmalonic acid, isobutyl 3-nitrophenyl ester. Dimethylmalonic acid, 3-nitrophenyl pentyl ester. Dimethylmalonic acid, hexyl 3-nitrophenyl ester. Dimethylmalonic acid, heptyl 3-nitrophenyl ester. Dimethylmalonic acid, 3-nitrophenyl octyl ester. Dimethylmalonic acid, isohexyl 3-nitrophenyl ester. Dimethylmalonic acid, butyl 3-nitrophenyl ester. Dimethylmalonic acid, 3-nitrophenyl propyl ester. Dimethylmalonic acid, isobutyl 3-nitrophenyl ester. Dimethylmalonic acid, ethyl 3-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl pentyl ester. Diethylmalonic acid, hexyl 4-nitrophenyl ester. Diethylmalonic acid, butyl 4-nitrophenyl ester.

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