Mixture of 3-nitrophthalonitrile + Ethyl Acetate

Name: 3-nitrophthalonitrile
InChI: InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H
InChI Key: UZJZIZFCQFZDHP-UHFFFAOYSA-N
Formula: C8H3N3O2
SMILES: N#Cc1cccc([N+](=O)[O-])c1C#N
Mol. Weight (g/mol): 173.13

Name: Ethyl Acetate
InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key: XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula: C4H8O2
SMILES: CCOC(C)=O
Mol. Weight (g/mol): 88.11
CAS: 141-78-6

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Datasets

Mole fraction (2)

Mole fraction of 3-nitrophthalonitrile (1) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid	Mole fraction of 3-nitrophthalonitrile (1) - Liquid
278.15	0.0178
283.15	0.0208
288.15	0.0242
293.15	0.0281
298.15	0.0324
303.15	0.0372
308.15	0.0426
313.15	0.0487
318.15	0.0555
323.15	0.0630

Mole fraction of 3-nitrophthalonitrile (1) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid	Mole fraction of 3-nitrophthalonitrile (1) - Liquid
278.15	0.0178
283.15	0.0208
288.15	0.0242
293.15	0.0281
298.15	0.0324
303.15	0.0372
308.15	0.0426
313.15	0.0487
318.15	0.0555
323.15	0.0630

Sources

Solubility and Solution Thermodynamics of 3-Nitrophthalonitrile in 12 Neat Solvents at Temperatures from 278.15 to 323.15 K

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