Chemical Properties of Terephthalic acid, isobutyl 4-nitrobenzyl ester

Terephthalic acid, isobutyl 4-nitrobenzyl ester

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InChI
InChI=1S/C19H19NO6/c1-13(2)11-25-18(21)15-5-7-16(8-6-15)19(22)26-12-14-3-9-17(10-4-14)20(23)24/h3-10,13H,11-12H2,1-2H3
InChI Key
VRGLXXGRRRHWQM-UHFFFAOYSA-N
Formula
C19H19NO6
SMILES
CC(C)COC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1
Molecular Weight1
357.36
Sources

Physical Properties

Property Value Unit Source
Δf -120.07 kJ/mol Joback Calculated Property
Δfgas -491.01 kJ/mol Joback Calculated Property
Δfus 45.68 kJ/mol Joback Calculated Property
Δvap 98.28 kJ/mol Joback Calculated Property
logPoct/wat 3.76 Crippen Calculated Property
Pc 1893.65 kPa Joback Calculated Property
Tboil 1001.42 K Joback Calculated Property
Tc 1249.54 K Joback Calculated Property
Tfus 654.70 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 818.60 J/mol×K 1001.42 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Terephthalic acid, butyl 4-nitrobenzyl ester. P-nitrobenzoic acid, isobutyl ester. Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester. Benzoic acid, 4-nitro-, phenylmethyl ester. P-nitrobenzoic acid, n-propyl ester. Terephthalic acid, butyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, hexyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl pentyl ester. Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. n-Butyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 1-phenylethyl ester. Benzoic acid, 4-nitro-, pentyl ester. 4-Nitrobenzoic acid, heptyl ester.

Find more compounds similar to Terephthalic acid, isobutyl 4-nitrobenzyl ester.

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