Mixture of Theophylline + Methyl Alcohol + Water

Excel

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

Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1

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 (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Theophylline (1) - Liquid
278.15 0.0000 0.0007
278.15 0.1000 0.0008
278.15 0.1510 0.0009
278.15 0.2000 0.0010
278.15 0.2520 0.0011
278.15 0.3000 0.0012
283.15 0.0000 0.0009
283.15 0.1040 0.0010
283.15 0.1510 0.0011
283.15 0.2020 0.0012
283.15 0.2520 0.0014
283.15 0.2860 0.0014
283.15 0.4000 0.0016
288.15 0.0000 0.0011
288.15 0.1000 0.0012
288.15 0.1510 0.0013
288.15 0.2000 0.0014
288.15 0.2520 0.0016
288.15 0.3000 0.0017
288.15 0.3980 0.0020
293.15 0.0000 0.0012
293.15 0.1030 0.0014
293.15 0.1510 0.0015
293.15 0.2020 0.0017
293.15 0.2520 0.0019
293.15 0.2980 0.0020
293.15 0.3990 0.0024
293.15 0.4980 0.0024
298.15 0.0000 0.0014
298.15 0.1060 0.0017
298.15 0.1510 0.0018
298.15 0.1900 0.0020
298.15 0.2520 0.0023
298.15 0.3010 0.0024
298.15 0.4000 0.0027
298.15 0.5000 0.0028
303.15 0.0000 0.0017
303.15 0.1000 0.0020
303.15 0.1510 0.0021
303.15 0.1990 0.0024
303.15 0.2520 0.0027
303.15 0.3000 0.0029
303.15 0.3980 0.0032
303.15 0.4980 0.0035

Mole fraction of Theophylline (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Water (3) - Liquid Mole fraction of Theophylline (1) - Liquid
278.15 0.0000 0.0007
278.15 0.1000 0.0008
278.15 0.1510 0.0009
278.15 0.2000 0.0010
278.15 0.2520 0.0011
278.15 0.3000 0.0012
283.15 0.0000 0.0009
283.15 0.1040 0.0010
283.15 0.1510 0.0011
283.15 0.2020 0.0012
283.15 0.2520 0.0014
283.15 0.2860 0.0014
283.15 0.4000 0.0016
288.15 0.0000 0.0011
288.15 0.1000 0.0012
288.15 0.1510 0.0013
288.15 0.2000 0.0014
288.15 0.2520 0.0016
288.15 0.3000 0.0017
288.15 0.3980 0.0020
293.15 0.0000 0.0012
293.15 0.1030 0.0014
293.15 0.1510 0.0015
293.15 0.2020 0.0017
293.15 0.2520 0.0019
293.15 0.2980 0.0020
293.15 0.3990 0.0024
293.15 0.4980 0.0024
298.15 0.0000 0.0014
298.15 0.1060 0.0017
298.15 0.1510 0.0018
298.15 0.1900 0.0020
298.15 0.2520 0.0023
298.15 0.3010 0.0024
298.15 0.4000 0.0027
298.15 0.5000 0.0028
303.15 0.0000 0.0017
303.15 0.1000 0.0020
303.15 0.1510 0.0021
303.15 0.1990 0.0024
303.15 0.2520 0.0027
303.15 0.3000 0.0029
303.15 0.3980 0.0032
303.15 0.4980 0.0035

Sources