Mixture of Isopropyl Alcohol + Trimethoprim + 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

Trimethoprim

Name
Trimethoprim
InChI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChI Key
IEDVJHCEMCRBQM-UHFFFAOYSA-N
Formula
C14H18N4O3
SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Mol. Weight (g/mol)
290.32
CAS
738-70-5

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 Trimethoprim (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Isopropyl Alcohol (1) - Liquid Mole fraction of Trimethoprim (2) - Liquid
293.15 0.1000 0.0001
298.45 0.1000 0.0001
303.45 0.1000 0.0001
308.15 0.1000 0.0001
312.95 0.1000 0.0002
318.65 0.1000 0.0002
322.65 0.1000 0.0003
293.15 0.2000 0.0003
298.45 0.2000 0.0003
303.45 0.2000 0.0004
308.15 0.2000 0.0005
312.95 0.2000 0.0006
318.65 0.2000 0.0008
322.65 0.2000 0.0010
293.15 0.3000 0.0003
298.45 0.3000 0.0005
303.45 0.3000 0.0007
308.15 0.3000 0.0011
312.95 0.3000 0.0014
318.65 0.3000 0.0018
322.65 0.3000 0.0022
293.15 0.4000 0.0005
298.45 0.4000 0.0009
303.45 0.4000 0.0012
308.15 0.4000 0.0018
312.95 0.4000 0.0023
318.65 0.4000 0.0029
322.65 0.4000 0.0037
293.15 0.5000 0.0010
298.45 0.5000 0.0014
303.45 0.5000 0.0020
308.15 0.5000 0.0025
312.95 0.5000 0.0030
318.65 0.5000 0.0038
322.65 0.5000 0.0047
293.15 0.0000 0.0000
298.45 0.0000 0.0000
303.45 0.0000 0.0000
308.15 0.0000 0.0000
312.95 0.0000 0.0000
318.65 0.0000 0.0001
322.65 0.0000 0.0001

Mole fraction of Trimethoprim (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Isopropyl Alcohol (1) - Liquid Mole fraction of Trimethoprim (2) - Liquid
293.15 0.1000 0.0001
298.45 0.1000 0.0001
303.45 0.1000 0.0001
308.15 0.1000 0.0001
312.95 0.1000 0.0002
318.65 0.1000 0.0002
322.65 0.1000 0.0003
293.15 0.2000 0.0003
298.45 0.2000 0.0003
303.45 0.2000 0.0004
308.15 0.2000 0.0005
312.95 0.2000 0.0006
318.65 0.2000 0.0008
322.65 0.2000 0.0010
293.15 0.3000 0.0003
298.45 0.3000 0.0005
303.45 0.3000 0.0007
308.15 0.3000 0.0011
312.95 0.3000 0.0014
318.65 0.3000 0.0018
322.65 0.3000 0.0022
293.15 0.4000 0.0005
298.45 0.4000 0.0009
303.45 0.4000 0.0012
308.15 0.4000 0.0018
312.95 0.4000 0.0023
318.65 0.4000 0.0029
322.65 0.4000 0.0037
293.15 0.5000 0.0010
298.45 0.5000 0.0014
303.45 0.5000 0.0020
308.15 0.5000 0.0025
312.95 0.5000 0.0030
318.65 0.5000 0.0038
322.65 0.5000 0.0047
293.15 0.0000 0.0000
298.45 0.0000 0.0000
303.45 0.0000 0.0000
308.15 0.0000 0.0000
312.95 0.0000 0.0000
318.65 0.0000 0.0001
322.65 0.0000 0.0001

Sources