Chemical Properties of Pimelic acid, 4-nitrophenyl octyl ester

Pimelic acid, 4-nitrophenyl octyl ester

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InChI
InChI=1S/C21H31NO6/c1-2-3-4-5-6-10-17-27-20(23)11-8-7-9-12-21(24)28-19-15-13-18(14-16-19)22(25)26/h13-16H,2-12,17H2,1H3
InChI Key
UHGSMOUWPBYUTA-UHFFFAOYSA-N
Formula
C21H31NO6
SMILES
CCCCCCCCOC(=O)CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
393.47
Sources

Physical Properties

Property Value Unit Source
Δf -203.57 kJ/mol Joback Calculated Property
Δfgas -752.07 kJ/mol Joback Calculated Property
Δfus 60.73 kJ/mol Joback Calculated Property
Δvap 100.18 kJ/mol Joback Calculated Property
logPoct/wat 5.35 Crippen Calculated Property
Pc 1262.85 kPa Joback Calculated Property
Tboil 1015.96 K Joback Calculated Property
Tc 1244.92 K Joback Calculated Property
Tfus 653.30 K Joback Calculated Property
Vc 1.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1048.19 J/mol×K 1015.96 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- 12
-CH3 1

Similar Compounds

Pimelic acid, heptyl 4-nitrophenyl ester. Pimelic acid, 4-nitrophenyl nonyl ester. Sebacic acid, 4-nitrophenyl pentyl ester. Sebacic acid, heptyl 4-nitrophenyl ester. Sebacic acid, butyl 4-nitrophenyl ester. Pimelic acid, 4-nitrophenyl pentyl ester. Sebacic acid, hexyl 4-nitrophenyl ester. Pimelic acid, hexyl 4-nitrophenyl ester. Sebacic acid, 4-nitrophenyl nonyl ester. Sebacic acid, 4-nitrophenyl octyl ester. Pimelic acid, decyl 4-nitrophenyl ester. Sebacic acid, isohexyl 4-nitrophenyl ester. Pimelic acid, ethyl 4-nitrophenyl ester. Sebacic acid, ethyl 4-nitrophenyl ester. Sebacic acid, isobutyl 4-nitrophenyl ester.

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

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