Chemical Properties of Diethylmalonic acid, 4-nitrophenyl propyl ester

Diethylmalonic acid, 4-nitrophenyl propyl ester

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InChI
InChI=1S/C16H21NO6/c1-4-11-22-14(18)16(5-2,6-3)15(19)23-13-9-7-12(8-10-13)17(20)21/h7-10H,4-6,11H2,1-3H3
InChI Key
KSEWQNRGWVNVGQ-UHFFFAOYSA-N
Formula
C16H21NO6
SMILES
CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
323.34
Sources

Physical Properties

Property Value Unit Source
Δf -242.83 kJ/mol Joback Calculated Property
Δfgas -657.62 kJ/mol Joback Calculated Property
Δfus 40.37 kJ/mol Joback Calculated Property
Δvap 87.75 kJ/mol Joback Calculated Property
logPoct/wat 3.26 Crippen Calculated Property
Pc 1865.94 kPa Joback Calculated Property
Tboil 898.33 K Joback Calculated Property
Tc 1128.13 K Joback Calculated Property
Tfus 599.37 K Joback Calculated Property
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 755.89 J/mol×K 898.33 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- 4
>C< 1
-CH3 3

Similar Compounds

Diethylmalonic acid, butyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl pentyl ester. Diethylmalonic acid, isobutyl 4-nitrophenyl ester. Diethylmalonic acid, hexyl 4-nitrophenyl ester. Diethylmalonic acid, ethyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl nonyl ester. Diethylmalonic acid, decyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl octyl ester. Diethylmalonic acid, heptyl 4-nitrophenyl ester. Diethylmalonic acid, 2-methylhex-3-yl 4-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl propyl ester. Diethylmalonic acid, butyl 3-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl pentyl ester. Diethylmalonic acid, isobutyl 3-nitrophenyl ester. Diethylmalonic acid, butyl 4-methoxyphenyl ester.

Find more compounds similar to Diethylmalonic acid, 4-nitrophenyl propyl ester.

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