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Mixture of Domperidone + 2-Propanol + 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

2-Propanol

Name
2-Propanol
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)
60.10
CAS
67-63-0

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 2-Propanol (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 1.5330e-06
298.15 0.1000 1.8700e-06
303.15 0.1000 2.2700e-06
308.15 0.1000 2.7420e-06
313.15 0.1000 3.2970e-06
318.15 0.1000 3.9460e-06
323.15 0.1000 4.7040e-06
328.15 0.1000 5.5850e-06
333.15 0.1000 6.6050e-06
293.15 0.2000 5.8780e-06
298.15 0.2000 7.0810e-06
303.15 0.2000 8.4800e-06
308.15 0.2000 0.0000
313.15 0.2000 0.0000
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 0.0001
293.15 0.4000 0.0000
298.15 0.4000 0.0000
303.15 0.4000 0.0001
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 0.0002
308.15 0.5000 0.0002
313.15 0.5000 0.0002
318.15 0.5000 0.0002
323.15 0.5000 0.0003
328.15 0.5000 0.0003
333.15 0.5000 0.0003
293.15 0.6000 0.0003
298.15 0.6000 0.0004
303.15 0.6000 0.0004
308.15 0.6000 0.0005
313.15 0.6000 0.0006
318.15 0.6000 0.0006
323.15 0.6000 0.0007
328.15 0.6000 0.0008
333.15 0.6000 0.0009
293.15 0.7000 0.0006
298.15 0.7000 0.0007
303.15 0.7000 0.0008
308.15 0.7000 0.0009
313.15 0.7000 0.0010
318.15 0.7000 0.0011
323.15 0.7000 0.0013
328.15 0.7000 0.0014
333.15 0.7000 0.0015
293.15 0.8000 0.0011
298.15 0.8000 0.0011
303.15 0.8000 0.0013
308.15 0.8000 0.0014
313.15 0.8000 0.0015
318.15 0.8000 0.0017
323.15 0.8000 0.0020
328.15 0.8000 0.0023
333.15 0.8000 0.0026
293.15 0.9000 0.0004
298.15 0.9000 0.0005
303.15 0.9000 0.0006
308.15 0.9000 0.0007
313.15 0.9000 0.0008
318.15 0.9000 0.0009
323.15 0.9000 0.0010
328.15 0.9000 0.0011
333.15 0.9000 0.0012
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