Mixture of Acetonitrile + Allopurinol

Excel

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

Allopurinol

Name
Allopurinol
InChI
InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChI Key
OFCNXPDARWKPPY-UHFFFAOYSA-N
Formula
C5H4N4O
SMILES
O=c1[nH]cnc2[nH]ncc12
Mol. Weight (g/mol)
136.11
CAS
315-30-0
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Datasets

  1. Mole fraction (2)

Mole fraction of Allopurinol (2) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid Mole fraction of Allopurinol (2) - Liquid
278.15 0.0001
283.15 0.0001
288.15 0.0001
293.15 0.0002
298.15 0.0002
303.15 0.0002
308.15 0.0003
313.15 0.0003
318.15 0.0004
323.15 0.0004
328.15 0.0005
333.15 0.0006

Mole fraction of Allopurinol (2) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid Mole fraction of Allopurinol (2) - Liquid
278.15 0.0001
283.15 0.0001
288.15 0.0001
293.15 0.0002
298.15 0.0002
303.15 0.0002
308.15 0.0003
313.15 0.0003
318.15 0.0004
323.15 0.0004
328.15 0.0005
333.15 0.0006

Sources