Chemical Properties of Diethylmalonic acid, butyl 3-nitrophenyl ester

Diethylmalonic acid, butyl 3-nitrophenyl ester

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InChI
InChI=1S/C17H23NO6/c1-4-7-11-23-15(19)17(5-2,6-3)16(20)24-14-10-8-9-13(12-14)18(21)22/h8-10,12H,4-7,11H2,1-3H3
InChI Key
AOXPJOCZMCUEKS-UHFFFAOYSA-N
Formula
C17H23NO6
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
337.37
Sources

Physical Properties

Property Value Unit Source
Δf -234.41 kJ/mol Joback Calculated Property
Δfgas -678.26 kJ/mol Joback Calculated Property
Δfus 42.96 kJ/mol Joback Calculated Property
Δvap 89.98 kJ/mol Joback Calculated Property
logPoct/wat 3.65 Crippen Calculated Property
Pc 1720.31 kPa Joback Calculated Property
Tboil 921.21 K Joback Calculated Property
Tc 1149.56 K Joback Calculated Property
Tfus 610.64 K Joback Calculated Property
Vc 1.00 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 813.12 J/mol×K 921.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 5
>C< 1
>C=O (nonring) 2

Similar Compounds

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

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