Mixture of Acetonitrile + 3-Methyl-4-nitrobenzoic acid

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Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

3-Methyl-4-nitrobenzoic acid

Name
3-Methyl-4-nitrobenzoic acid
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-]
Mol. Weight (g/mol)
181.15
CAS
3113-71-1
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Datasets

  1. Mole fraction (2)

Mole fraction of 3-Methyl-4-nitrobenzoic acid (2) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid Mole fraction of 3-Methyl-4-nitrobenzoic acid (2) - Liquid
283.15 0.0025
285.65 0.0028
288.15 0.0030
290.65 0.0033
293.15 0.0035
295.65 0.0038
298.15 0.0041
300.65 0.0044
303.15 0.0047
305.65 0.0050
308.15 0.0053
310.65 0.0056
313.15 0.0060
315.65 0.0064
318.15 0.0069

Mole fraction of 3-Methyl-4-nitrobenzoic acid (2) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid Mole fraction of 3-Methyl-4-nitrobenzoic acid (2) - Liquid
283.15 0.0025
285.65 0.0028
288.15 0.0030
290.65 0.0033
293.15 0.0035
295.65 0.0038
298.15 0.0041
300.65 0.0044
303.15 0.0047
305.65 0.0050
308.15 0.0053
310.65 0.0056
313.15 0.0060
315.65 0.0064
318.15 0.0069

Sources