Chemical Properties of M-toluic acid, 4-nitro-, methyl ester (CAS 24078-21-5)

M-toluic acid, 4-nitro-, methyl ester

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InChI
InChI=1S/C9H9NO4/c1-6-5-7(9(11)14-2)3-4-8(6)10(12)13/h3-5H,1-2H3
InChI Key
IEFONJKJLZFGKQ-UHFFFAOYSA-N
Formula
C9H9NO4
SMILES
COC(=O)c1ccc([N+](=O)[O-])c(C)c1
Molecular Weight1
195.17
CAS
24078-21-5
Other Names
  • m-Toluic acid, 4-nitro-, methyl ester
  • methyl 3-methyl-4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -80.32 kJ/mol Joback Calculated Property
Δfgas -271.06 kJ/mol Joback Calculated Property
Δfus 26.48 kJ/mol Joback Calculated Property
Δvap 64.98 kJ/mol Joback Calculated Property
logPoct/wat 1.69 Crippen Calculated Property
Pc 3368.44 kPa Joback Calculated Property
Tboil 670.09 K Joback Calculated Property
Tc 913.32 K Joback Calculated Property
Tfus 458.42 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 344.48 J/mol×K 670.09 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Methyl-4-nitrobenzoic acid. Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester. Acetic acid, (3-methyl-4-nitrophenyl)methyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester. Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, butyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl pentyl ester. Terephthalic acid, hexyl 4-nitro-3-methylbenzyl ester. 3-Methyl-6-nitrobenzoic acid. Benzoic acid, 4-nitro-, methyl ester. Methyl p-nitro benzoate. Glutaric acid, di(3-methyl-4-nitrobenzyl) ester. Ethyl 4-nitrobenzoate.

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