Mixture of Ethanol + Trimethoprim + Water

Excel

Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

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 Ethanol (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 0.0001
318.65 0.1000 0.0002
322.65 0.1000 0.0002
293.15 0.2000 0.0002
298.45 0.2000 0.0002
303.45 0.2000 0.0002
308.15 0.2000 0.0003
312.95 0.2000 0.0004
318.65 0.2000 0.0004
322.65 0.2000 0.0005
293.15 0.3000 0.0005
298.45 0.3000 0.0006
303.45 0.3000 0.0007
308.15 0.3000 0.0008
312.95 0.3000 0.0011
318.65 0.3000 0.0013
322.65 0.3000 0.0016
293.15 0.4000 0.0010
298.45 0.4000 0.0012
303.45 0.4000 0.0014
308.15 0.4000 0.0017
312.95 0.4000 0.0020
318.65 0.4000 0.0025
322.65 0.4000 0.0031
293.15 0.5000 0.0010
298.45 0.5000 0.0014
303.45 0.5000 0.0018
308.15 0.5000 0.0024
312.95 0.5000 0.0029
318.65 0.5000 0.0037
322.65 0.5000 0.0046
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 Ethanol (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 0.0001
318.65 0.1000 0.0002
322.65 0.1000 0.0002
293.15 0.2000 0.0002
298.45 0.2000 0.0002
303.45 0.2000 0.0002
308.15 0.2000 0.0003
312.95 0.2000 0.0004
318.65 0.2000 0.0004
322.65 0.2000 0.0005
293.15 0.3000 0.0005
298.45 0.3000 0.0006
303.45 0.3000 0.0007
308.15 0.3000 0.0008
312.95 0.3000 0.0011
318.65 0.3000 0.0013
322.65 0.3000 0.0016
293.15 0.4000 0.0010
298.45 0.4000 0.0012
303.45 0.4000 0.0014
308.15 0.4000 0.0017
312.95 0.4000 0.0020
318.65 0.4000 0.0025
322.65 0.4000 0.0031
293.15 0.5000 0.0010
298.45 0.5000 0.0014
303.45 0.5000 0.0018
308.15 0.5000 0.0024
312.95 0.5000 0.0029
318.65 0.5000 0.0037
322.65 0.5000 0.0046
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