Mixture of Acetone + Theophylline

Excel

Acetone

Name
Acetone
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key
CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CC(C)=O
Mol. Weight (g/mol)
58.08
CAS
67-64-1

Theophylline

Name
Theophylline
InChI
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChI Key
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Formula
C7H8N4O2
SMILES
Cn1c(=O)c2[nH]cnc2n(C)c1=O
Mol. Weight (g/mol)
180.16
CAS
58-55-9
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Datasets

  1. Mole fraction (2)

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Theophylline (2) - Liquid
288.02 0.0007
298.15 0.0009
308.15 0.0012
318.15 0.0015
328.10 0.0018

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Theophylline (2) - Liquid
288.02 0.0007
298.15 0.0009
308.15 0.0012
318.15 0.0015
328.10 0.0018

Sources