Chemical Properties of 3-Methyl-4-nitrobenzoic acid (CAS 3113-71-1)

3-Methyl-4-nitrobenzoic acid

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InChI
InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key
XDTTUTIFWDAMIX-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
Cc1cc(C(=O)O)ccc1[N+](=O)[O-]
Molecular Weight1
181.15
CAS
3113-71-1
Other Names
  • 4-nitro-m-toluic acid
  • benzoic acid, 3-methyl-4-nitro-
  • m-Toluic acid, 4-nitro-
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Physical Properties

Property Value Unit Source
Δf -120.56 kJ/mol Joback Calculated Property
Δfgas -270.43 kJ/mol Joback Calculated Property
Δfus 26.79 kJ/mol Joback Calculated Property
Δsub 119.30 ± 2.50 kJ/mol NIST
Δvap 77.02 kJ/mol Joback Calculated Property
log10WS -2.66 Crippen Calculated Property
logPoct/wat 1.601 Crippen Calculated Property
McVol 124.680 ml/mol McGowan Calculated Property
Pc 4339.67 kPa Joback Calculated Property
Tboil 716.97 K Joback Calculated Property
Tc 947.46 K Joback Calculated Property
Tfus 485.74 K Joback Calculated Property
Vc 0.482 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [314.41; 354.89] J/mol×K [716.97; 947.46] Show Hide
Cp,gas 314.41 J/mol×K 716.97 Joback Calculated Property
Cp,gas 322.66 J/mol×K 755.38 Joback Calculated Property
Cp,gas 330.28 J/mol×K 793.80 Joback Calculated Property
Cp,gas 337.28 J/mol×K 832.21 Joback Calculated Property
Cp,gas 343.70 J/mol×K 870.63 Joback Calculated Property
Cp,gas 349.56 J/mol×K 909.04 Joback Calculated Property
Cp,gas 354.89 J/mol×K 947.46 Joback Calculated Property

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Crystal Pressure, kPa - Crystal Mass density, kg/m3 - Crystal
303.15 101.10 1528.6
Reference

Similar Compounds

Benzoic acid, 3-methyl-4-nitro-, methyl ester. 3-Methyl-6-nitrobenzoic acid. Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Benzene, 2,4-dimethyl-1-nitro-. Acetic acid, (3-methyl-4-nitrophenyl)methyl ester. 4-Amino-3-methylbenzoic acid. Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester. Benzoic acid, 4-methyl-3-nitro-. Benzoic acid, 3-methyl-2-nitro-. Terephthalic acid, isobutyl 4-nitro-3-methylbenzyl ester. Terephthalic acid, 4-nitro-3-methylbenzyl propyl ester. Benzoic acid, 2-methyl-3-nitro-. Succinic acid, ethyl 3-methyl-4-nitrobenzyl ester. Glutaric acid, di(3-methyl-4-nitrobenzyl) ester.

Find more compounds similar to 3-Methyl-4-nitrobenzoic acid.

Mixtures

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Sources

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