Chemical Properties of Pimelic acid, 4-nitrophenyl pentyl ester

Pimelic acid, 4-nitrophenyl pentyl ester

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InChI
InChI=1S/C18H25NO6/c1-2-3-7-14-24-17(20)8-5-4-6-9-18(21)25-16-12-10-15(11-13-16)19(22)23/h10-13H,2-9,14H2,1H3
InChI Key
PGUWYVCOYOWSTM-UHFFFAOYSA-N
Formula
C18H25NO6
SMILES
CCCCCOC(=O)CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
351.39
Sources

Physical Properties

Property Value Unit Source
Δf -228.83 kJ/mol Joback Calculated Property
Δfgas -690.15 kJ/mol Joback Calculated Property
Δfus 52.96 kJ/mol Joback Calculated Property
Δvap 93.50 kJ/mol Joback Calculated Property
logPoct/wat 4.18 Crippen Calculated Property
Pc 1567.23 kPa Joback Calculated Property
Tboil 947.32 K Joback Calculated Property
Tc 1169.79 K Joback Calculated Property
Tfus 619.49 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 870.47 J/mol×K 947.32 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
-CH3 1

Similar Compounds

Pimelic acid, heptyl 4-nitrophenyl ester. Pimelic acid, 4-nitrophenyl octyl 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. 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.

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