Chemical Properties of Diethylmalonic acid, heptyl 2-nitrophenyl ester

Diethylmalonic acid, heptyl 2-nitrophenyl ester

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InChI
InChI=1S/C20H29NO6/c1-4-7-8-9-12-15-26-18(22)20(5-2,6-3)19(23)27-17-14-11-10-13-16(17)21(24)25/h10-11,13-14H,4-9,12,15H2,1-3H3
InChI Key
QJHGIGRMZLBGAZ-UHFFFAOYSA-N
Formula
C20H29NO6
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1[N+](=O)[O-]
Molecular Weight1
379.45
Sources

Physical Properties

Property Value Unit Source
Δf -209.15 kJ/mol Joback Calculated Property
Δfgas -740.18 kJ/mol Joback Calculated Property
Δfus 50.73 kJ/mol Joback Calculated Property
Δvap 96.66 kJ/mol Joback Calculated Property
logPoct/wat 4.82 Crippen Calculated Property
Pc 1372.76 kPa Joback Calculated Property
Tboil 989.85 K Joback Calculated Property
Tc 1218.67 K Joback Calculated Property
Tfus 644.45 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 988.78 J/mol×K 989.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 8
>C< 1
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, 2-nitrophenyl octyl ester. Diethylmalonic acid, hexyl 2-nitrophenyl ester. Diethylmalonic acid, 2-nitrophenyl pentyl ester. Diethylmalonic acid, butyl 2-nitrophenyl ester. Diethylmalonic acid, 2-nitrophenyl propyl ester. Diethylmalonic acid, isobutyl 2-nitrophenyl ester. Diethylmalonic acid, di(2-nitrophenyl) ester. Diethylmalonic acid, monochloride, 2-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl nonyl ester. Diethylmalonic acid, decyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl octyl ester. Diethylmalonic acid, heptyl 4-nitrophenyl ester. Diethylmalonic acid, hexyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl pentyl ester. Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester.

Find more compounds similar to Diethylmalonic acid, heptyl 2-nitrophenyl ester.

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