Chemical Properties of 3-Methyl-6-nitrobenzoic acid (CAS 3113-72-2)

3-Methyl-6-nitrobenzoic acid

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InChI
InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key
QRRSIFNWHCKMSW-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
Cc1ccc([N+](=O)[O-])c(C(=O)O)c1
Molecular Weight1
181.15
CAS
3113-72-2
Other Names
  • 2-Methyl-3-nitrobenzoic acid
  • 5-methyl-2-nitrobenzoic acid
  • 6-nitro-m-toluic acid
  • 6-nitro-p-toluic acid
  • benzoic acid, 5-methyl-2-nitro-
  • m-Toluic acid, 6-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
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

Similar Compounds

Benzoic acid, 3-methyl-2-nitro-. 3-Methyl-4-nitrobenzoic acid. Benzoic acid, 2-nitro-. 2-Methyl-6-nitrobenzoic acid. 2-Amino-5-methylbenzoic acid. Benzoic acid, 2,5-dinitro-. 2,4-Dinitrobenzoic acid. Benzoic acid, 3-methyl-4-nitro-, methyl ester. Benzoic acid, (3-methyl-4-nitrophenyl)methyl ester. 2-Methyl-5-nitrobenzoic acid. 1,2-Benzenedicarboxylic acid, 3-nitro-. 5-Chloro-2-nitrobenzoic acid. 4-Chloro-2-nitrobenzoic acid. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester.

Find more compounds similar to 3-Methyl-6-nitrobenzoic acid.

Mixtures

Sources

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