Chemical Properties of Dimethylmalonic acid, 3-nitrophenyl propyl ester

Dimethylmalonic acid, 3-nitrophenyl propyl ester

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InChI
InChI=1S/C14H17NO6/c1-4-8-20-12(16)14(2,3)13(17)21-11-7-5-6-10(9-11)15(18)19/h5-7,9H,4,8H2,1-3H3
InChI Key
YCOQSTREPBLTAU-UHFFFAOYSA-N
Formula
C14H17NO6
SMILES
CCCOC(=O)C(C)(C)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
295.29
Sources

Physical Properties

Property Value Unit Source
Δf -259.67 kJ/mol Joback Calculated Property
Δfgas -616.34 kJ/mol Joback Calculated Property
Δfus 35.19 kJ/mol Joback Calculated Property
Δvap 83.30 kJ/mol Joback Calculated Property
logPoct/wat 2.48 Crippen Calculated Property
Pc 2218.71 kPa Joback Calculated Property
Tboil 852.57 K Joback Calculated Property
Tc 1087.40 K Joback Calculated Property
Tfus 576.83 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 643.79 J/mol×K 852.57 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- 2
>C< 1
-CH3 3

Similar Compounds

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

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

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