Chemical Properties of Acetic acid, (4-methyl-3-nitrophenyl)methyl ester (CAS 40870-71-1)

Acetic acid, (4-methyl-3-nitrophenyl)methyl ester

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InChI
InChI=1S/C10H11NO4/c1-7-3-4-9(6-15-8(2)12)5-10(7)11(13)14/h3-5H,6H2,1-2H3
InChI Key
PLOATNCPWVNMSO-UHFFFAOYSA-N
Formula
C10H11NO4
SMILES
CC(=O)OCc1ccc(C)c([N+](=O)[O-])c1
Molecular Weight1
209.20
CAS
40870-71-1
Sources

Physical Properties

Property Value Unit Source
Δf -71.90 kJ/mol Joback Calculated Property
Δfgas -291.70 kJ/mol Joback Calculated Property
Δfus 29.07 kJ/mol Joback Calculated Property
Δvap 67.20 kJ/mol Joback Calculated Property
logPoct/wat 1.97 Crippen Calculated Property
Pc 3022.28 kPa Joback Calculated Property
Tboil 692.97 K Joback Calculated Property
Tc 931.12 K Joback Calculated Property
Tfus 469.69 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 393.70 J/mol×K 692.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Formic acid, (4-methyl-3-nitrophenyl)methyl ester. Glutaric acid, di(4-methyl-3-nitrobenzyl) ester. Glutaric acid, ethyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl propyl ester. Sebacic acid, ethyl 4-methyl-3-nitrobenzyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl propyl ester. Succinic acid, 4-methyl-3-nitrobenzyl propyl ester. Glutaric acid, butyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, 4-methyl-3-nitrobenzyl pentyl ester. Sebacic acid, butyl 4-methyl-3-nitrobenzyl ester. Sebacic acid, 4-methyl-3-nitrobenzyl pentyl ester. Glutaric acid, isobutyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, hexyl 4-methyl-3-nitrobenzyl ester. Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester. Glutaric acid, heptyl 4-methyl-3-nitrobenzyl ester.

Find more compounds similar to Acetic acid, (4-methyl-3-nitrophenyl)methyl ester.

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