Chemical Properties of Dimethylmalonic acid, ethyl 3-nitrophenyl ester

Dimethylmalonic acid, ethyl 3-nitrophenyl ester

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InChI
InChI=1S/C13H15NO6/c1-4-19-11(15)13(2,3)12(16)20-10-7-5-6-9(8-10)14(17)18/h5-8H,4H2,1-3H3
InChI Key
HKGFQZNVWYAOCJ-UHFFFAOYSA-N
Formula
C13H15NO6
SMILES
CCOC(=O)C(C)(C)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
281.26
Sources

Physical Properties

Property Value Unit Source
Δf -268.09 kJ/mol Joback Calculated Property
Δfgas -595.70 kJ/mol Joback Calculated Property
Δfus 32.60 kJ/mol Joback Calculated Property
Δvap 81.08 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2433.84 kPa Joback Calculated Property
Tboil 829.69 K Joback Calculated Property
Tc 1068.02 K Joback Calculated Property
Tfus 565.56 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 589.03 J/mol×K 829.69 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- 1
>C< 1
-CH3 3

Similar Compounds

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

Find more compounds similar to Dimethylmalonic acid, ethyl 3-nitrophenyl ester.

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