Mixture of Isopropyl Alcohol + Theophylline + Water

Excel

Isopropyl Alcohol

Name
Isopropyl Alcohol
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Formula
C3H8O
SMILES
CC(C)O
Mol. Weight (g/mol)
60.09
CAS
67-63-0

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

Water

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

  1. Mole fraction (2)

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Theophylline (2) - Liquid
278.15 0.0000 0.0003
278.15 0.0610 0.0006
278.15 0.1210 0.0008
278.15 0.1710 0.0010
278.15 0.2350 0.0012
278.15 0.3350 0.0014
283.15 0.0000 0.0003
283.15 0.0610 0.0007
283.15 0.1210 0.0009
283.15 0.1700 0.0012
283.15 0.2340 0.0014
283.15 0.3350 0.0017
288.15 0.0000 0.0005
288.15 0.0610 0.0008
288.15 0.1210 0.0011
288.15 0.1700 0.0014
288.15 0.2340 0.0017
288.15 0.3350 0.0021
293.15 0.0000 0.0007
293.15 0.0610 0.0010
293.15 0.1210 0.0013
293.15 0.1700 0.0017
293.15 0.2340 0.0021
293.15 0.3340 0.0026
293.15 0.4170 0.0029
298.15 0.0000 0.0010
298.15 0.0610 0.0014
298.15 0.1210 0.0016
298.15 0.1700 0.0021
298.15 0.2340 0.0025
298.15 0.3340 0.0032
298.15 0.4170 0.0035
303.15 0.0000 0.0013
303.15 0.0610 0.0017
303.15 0.1210 0.0019
303.15 0.1700 0.0025
303.15 0.2340 0.0030
303.15 0.3340 0.0037
303.15 0.4170 0.0042

Mole fraction of Theophylline (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Theophylline (2) - Liquid
278.15 0.0000 0.0003
278.15 0.0610 0.0006
278.15 0.1210 0.0008
278.15 0.1710 0.0010
278.15 0.2350 0.0012
278.15 0.3350 0.0014
283.15 0.0000 0.0003
283.15 0.0610 0.0007
283.15 0.1210 0.0009
283.15 0.1700 0.0012
283.15 0.2340 0.0014
283.15 0.3350 0.0017
288.15 0.0000 0.0005
288.15 0.0610 0.0008
288.15 0.1210 0.0011
288.15 0.1700 0.0014
288.15 0.2340 0.0017
288.15 0.3350 0.0021
293.15 0.0000 0.0007
293.15 0.0610 0.0010
293.15 0.1210 0.0013
293.15 0.1700 0.0017
293.15 0.2340 0.0021
293.15 0.3340 0.0026
293.15 0.4170 0.0029
298.15 0.0000 0.0010
298.15 0.0610 0.0014
298.15 0.1210 0.0016
298.15 0.1700 0.0021
298.15 0.2340 0.0025
298.15 0.3340 0.0032
298.15 0.4170 0.0035
303.15 0.0000 0.0013
303.15 0.0610 0.0017
303.15 0.1210 0.0019
303.15 0.1700 0.0025
303.15 0.2340 0.0030
303.15 0.3340 0.0037
303.15 0.4170 0.0042

Sources