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Mixture of Domperidone + Ethanol + Water

Domperidone

Name
Domperidone
InChI
InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
InChI Key
FGXWKSZFVQUSTL-UHFFFAOYSA-N
Formula
C22H24ClN5O2
SMILES
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
Mol. Weight (g/mol)
425.92

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

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

Mole fraction of Domperidone (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (2) - Liquid Mole fraction of Domperidone (1) - Liquid
293.15 0.0000 1.7480e-07
298.15 0.0000 2.2190e-07
303.15 0.0000 2.7620e-07
308.15 0.0000 3.3520e-07
313.15 0.0000 4.1570e-07
318.15 0.0000 5.1100e-07
323.15 0.0000 6.3840e-07
328.15 0.0000 7.7270e-07
333.15 0.0000 9.3410e-07
293.15 0.1000 1.2280e-06
298.15 0.1000 1.5010e-06
303.15 0.1000 1.8270e-06
308.15 0.1000 2.2140e-06
313.15 0.1000 2.6740e-06
318.15 0.1000 3.2170e-06
323.15 0.1000 3.8560e-06
328.15 0.1000 4.6070e-06
333.15 0.1000 5.4860e-06
293.15 0.2000 4.5720e-06
298.15 0.2000 5.5100e-06
303.15 0.2000 6.6140e-06
308.15 0.2000 7.9100e-06
313.15 0.2000 9.4260e-06
318.15 0.2000 0.0000
323.15 0.2000 0.0000
328.15 0.2000 0.0000
333.15 0.2000 0.0000
293.15 0.3000 0.0000
298.15 0.3000 0.0000
303.15 0.3000 0.0000
308.15 0.3000 0.0000
313.15 0.3000 0.0000
318.15 0.3000 0.0000
323.15 0.3000 0.0000
328.15 0.3000 0.0000
333.15 0.3000 0.0000
293.15 0.4000 0.0000
298.15 0.4000 0.0000
303.15 0.4000 0.0000
308.15 0.4000 0.0001
313.15 0.4000 0.0001
318.15 0.4000 0.0001
323.15 0.4000 0.0001
328.15 0.4000 0.0001
333.15 0.4000 0.0001
293.15 0.5000 0.0001
298.15 0.5000 0.0001
303.15 0.5000 0.0001
308.15 0.5000 0.0001
313.15 0.5000 0.0001
318.15 0.5000 0.0002
323.15 0.5000 0.0002
328.15 0.5000 0.0002
333.15 0.5000 0.0003
293.15 0.6000 0.0002
298.15 0.6000 0.0002
303.15 0.6000 0.0002
308.15 0.6000 0.0003
313.15 0.6000 0.0003
318.15 0.6000 0.0004
323.15 0.6000 0.0004
328.15 0.6000 0.0005
333.15 0.6000 0.0005
293.15 0.7000 0.0003
298.15 0.7000 0.0003
303.15 0.7000 0.0004
308.15 0.7000 0.0004
313.15 0.7000 0.0005
318.15 0.7000 0.0006
323.15 0.7000 0.0006
328.15 0.7000 0.0007
333.15 0.7000 0.0008
293.15 0.8000 0.0004
298.15 0.8000 0.0005
303.15 0.8000 0.0005
308.15 0.8000 0.0006
313.15 0.8000 0.0007
318.15 0.8000 0.0008
323.15 0.8000 0.0009
328.15 0.8000 0.0010
333.15 0.8000 0.0012
293.15 0.9000 0.0002
298.15 0.9000 0.0002
303.15 0.9000 0.0003
308.15 0.9000 0.0003
313.15 0.9000 0.0004
318.15 0.9000 0.0004
323.15 0.9000 0.0005
328.15 0.9000 0.0005
333.15 0.9000 0.0006
293.15 1.0000 0.0000
298.15 1.0000 0.0000
303.15 1.0000 0.0000
308.15 1.0000 0.0000
313.15 1.0000 0.0000
318.15 1.0000 0.0001
323.15 1.0000 0.0001
328.15 1.0000 0.0001
333.15 1.0000 0.0001

Sources