Chemical Properties of Dimethylmalonic acid, isobutyl 3-nitrophenyl ester

Dimethylmalonic acid, isobutyl 3-nitrophenyl ester

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InChI
InChI=1S/C15H19NO6/c1-10(2)9-21-13(17)15(3,4)14(18)22-12-7-5-6-11(8-12)16(19)20/h5-8,10H,9H2,1-4H3
InChI Key
HLRAZGSEIFKIRX-UHFFFAOYSA-N
Formula
C15H19NO6
SMILES
CC(C)COC(=O)C(C)(C)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
309.31
Sources

Physical Properties

Property Value Unit Source
Δf -253.69 kJ/mol Joback Calculated Property
Δfgas -642.26 kJ/mol Joback Calculated Property
Δfus 34.26 kJ/mol Joback Calculated Property
Δvap 85.14 kJ/mol Joback Calculated Property
logPoct/wat 2.73 Crippen Calculated Property
Pc 2045.61 kPa Joback Calculated Property
Tboil 875.01 K Joback Calculated Property
Tc 1110.26 K Joback Calculated Property
Tfus 573.10 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 700.00 J/mol×K 875.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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