Mixture of 3-nitrophthalonitrile + Water

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: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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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	0.0001
283.15	0.0001
288.15	0.0001
293.15	0.0001
298.15	0.0001
303.15	0.0001
308.15	0.0002
313.15	0.0002
318.15	0.0002
323.15	0.0003

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	0.0001
283.15	0.0001
288.15	0.0001
293.15	0.0001
298.15	0.0001
303.15	0.0001
308.15	0.0002
313.15	0.0002
318.15	0.0002
323.15	0.0003

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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