Mixture of Allopurinol + 1,4-Dioxane

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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

1,4-Dioxane

Name
1,4-Dioxane
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChI Key
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
C1COCCO1
Mol. Weight (g/mol)
88.11
CAS
123-91-1
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Datasets

  1. Mole fraction (2)

Mole fraction of Allopurinol (1) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid Mole fraction of Allopurinol (1) - Liquid
283.15 0.0000
288.15 0.0000
293.15 0.0000
298.15 0.0001
303.15 0.0001
308.15 0.0001
313.15 0.0001
318.15 0.0001
323.15 0.0001
328.15 0.0002
333.15 0.0002

Mole fraction of Allopurinol (1) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid Mole fraction of Allopurinol (1) - Liquid
283.15 0.0000
288.15 0.0000
293.15 0.0000
298.15 0.0001
303.15 0.0001
308.15 0.0001
313.15 0.0001
318.15 0.0001
323.15 0.0001
328.15 0.0002
333.15 0.0002

Sources