Chemical Properties of Dimethylmalonic acid, butyl 3-nitrophenyl ester

Dimethylmalonic acid, butyl 3-nitrophenyl ester

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InChI
InChI=1S/C15H19NO6/c1-4-5-9-21-13(17)15(2,3)14(18)22-12-8-6-7-11(10-12)16(19)20/h6-8,10H,4-5,9H2,1-3H3
InChI Key
JAEPINGBINLTCR-UHFFFAOYSA-N
Formula
C15H19NO6
SMILES
CCCCOC(=O)C(C)(C)C(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
309.31
Sources

Physical Properties

Property Value Unit Source
Δf -251.25 kJ/mol Joback Calculated Property
Δfgas -636.98 kJ/mol Joback Calculated Property
Δfus 37.78 kJ/mol Joback Calculated Property
Δvap 85.53 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 2030.89 kPa Joback Calculated Property
Tboil 875.45 K Joback Calculated Property
Tc 1107.42 K Joback Calculated Property
Tfus 588.10 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 699.43 J/mol×K 875.45 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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