Chemical Properties of Diethylmalonic acid, isobutyl 3-nitrophenyl ester

Diethylmalonic acid, isobutyl 3-nitrophenyl ester

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InChI
InChI=1S/C17H23NO6/c1-5-17(6-2,15(19)23-11-12(3)4)16(20)24-14-9-7-8-13(10-14)18(21)22/h7-10,12H,5-6,11H2,1-4H3
InChI Key
CKVREVCHMQOBDD-UHFFFAOYSA-N
Formula
C17H23NO6
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
337.37
Sources

Physical Properties

Property Value Unit Source
Δf -236.85 kJ/mol Joback Calculated Property
Δfgas -683.54 kJ/mol Joback Calculated Property
Δfus 39.44 kJ/mol Joback Calculated Property
Δvap 89.59 kJ/mol Joback Calculated Property
logPoct/wat 3.51 Crippen Calculated Property
Pc 1731.78 kPa Joback Calculated Property
Tboil 920.77 K Joback Calculated Property
Tc 1151.70 K Joback Calculated Property
Tfus 595.64 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 813.63 J/mol×K 920.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Diethylmalonic acid, 3-nitrophenyl propyl ester. Diethylmalonic acid, butyl 3-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl pentyl ester. Dimethylmalonic acid, 3-nitrophenyl pentyl ester. Dimethylmalonic acid, butyl 3-nitrophenyl 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, isobutyl 3-nitrophenyl ester. Dimethylmalonic acid, 3-nitrophenyl propyl ester. Dimethylmalonic acid, ethyl 3-nitrophenyl ester. Diethylmalonic acid, isobutyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl propyl ester. Diethylmalonic acid, butyl 4-nitrophenyl ester.

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