Mixture of 3-nitrophthalonitrile + 1-Butanol

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: 1-Butanol
InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key: LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula: C4H10O
SMILES: CCCCO
Mol. Weight (g/mol): 74.12
CAS: 71-36-3

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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	0.0004
283.15	0.0005
288.15	0.0006
293.15	0.0007
298.15	0.0008
303.15	0.0010
308.15	0.0012
313.15	0.0014
318.15	0.0017
323.15	0.0021

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	0.0004
283.15	0.0005
288.15	0.0006
293.15	0.0007
298.15	0.0008
303.15	0.0010
308.15	0.0012
313.15	0.0014
318.15	0.0017
323.15	0.0021

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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