Chemical Properties of Fumaric acid, isobutyl 3-nitrophenyl ester

Fumaric acid, isobutyl 3-nitrophenyl ester

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InChI
InChI=1S/C14H15NO6/c1-10(2)9-20-13(16)6-7-14(17)21-12-5-3-4-11(8-12)15(18)19/h3-8,10H,9H2,1-2H3/b7-6+
InChI Key
ASMQUBPIPQANDH-VOTSOKGWSA-N
Formula
C14H15NO6
SMILES
CC(C)COC(=O)C=CC(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
293.27
Sources

Physical Properties

Property Value Unit Source
Δf -184.73 kJ/mol Joback Calculated Property
Δfgas -495.65 kJ/mol Joback Calculated Property
Δfus 39.28 kJ/mol Joback Calculated Property
Δvap 84.17 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 2306.95 kPa Joback Calculated Property
Tboil 859.52 K Joback Calculated Property
Tc 1095.01 K Joback Calculated Property
Tfus 554.33 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 615.48 J/mol×K 859.52 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Fumaric acid, 3-nitrophenyl propyl ester. Fumaric acid, ethyl 3-nitrophenyl ester. Fumaric acid, 3-nitrophenyl pentyl ester. Fumaric acid, hexyl 3-nitrophenyl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Acetic acid, 3-nitrophenyl ester. Sebacic acid, isobutyl 3-nitrophenyl ester. Glutaric acid, isobutyl 3-nitrophenyl ester. Sebacic acid, 3-nitrophenyl propyl ester. Glutaric acid, 3-nitrophenyl propyl ester. Pimelic acid, heptyl 3-nitrophenyl ester. Sebacic hexyl 3-nitrophenyl ester. Pimelic acid, 3-nitrophenyl octyl ester. Sebacic acid, heptyl 3-nitrophenyl ester. Sebacic acid, butyl 3-nitrophenyl ester.

Find more compounds similar to Fumaric acid, isobutyl 3-nitrophenyl ester.

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