Chemical Properties of Diethylmalonic acid, 4-nitrophenyl octyl ester

Diethylmalonic acid, 4-nitrophenyl octyl ester

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InChI
InChI=1S/C21H31NO6/c1-4-7-8-9-10-11-16-27-19(23)21(5-2,6-3)20(24)28-18-14-12-17(13-15-18)22(25)26/h12-15H,4-11,16H2,1-3H3
InChI Key
XAXZXKIKPRBIDK-UHFFFAOYSA-N
Formula
C21H31NO6
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
393.47
Sources

Physical Properties

Property Value Unit Source
Δf -200.73 kJ/mol Joback Calculated Property
Δfgas -760.82 kJ/mol Joback Calculated Property
Δfus 53.32 kJ/mol Joback Calculated Property
Δvap 98.89 kJ/mol Joback Calculated Property
logPoct/wat 5.21 Crippen Calculated Property
Pc 1280.08 kPa Joback Calculated Property
Tboil 1012.73 K Joback Calculated Property
Tc 1243.48 K Joback Calculated Property
Tfus 655.72 K Joback Calculated Property
Vc 1.22 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1048.49 J/mol×K 1012.73 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- 9
>C< 1
-CH3 3

Similar Compounds

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

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

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