Mixture of Pyrazinamide + 1,4-Dioxane + Cyclohexane

Excel

Pyrazinamide

Name
Pyrazinamide
InChI
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChI Key
IPEHBUMCGVEMRF-UHFFFAOYSA-N
Formula
C5H5N3O
SMILES
NC(=O)c1cnccn1
Mol. Weight (g/mol)
123.11
CAS
98-96-4

1,4-Dioxane

Name
1,4-Dioxane
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChI Key
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
C1COCCO1
Mol. Weight (g/mol)
88.11
CAS
123-91-1

Cyclohexane

Name
Cyclohexane
InChI
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChI Key
XDTMQSROBMDMFD-UHFFFAOYSA-N
Formula
C6H12
SMILES
C1CCCCC1
Mol. Weight (g/mol)
84.16
CAS
110-82-7
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Datasets

  1. Mole fraction (2)

Mole fraction of Pyrazinamide (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Cyclohexane (3) - Liquid Mole fraction of Pyrazinamide (1) - Liquid
293.15 0.0000 0.0072
303.15 0.0000 0.0107
313.15 0.0000 0.0138
323.15 0.0000 0.0202
333.15 0.0000 0.0285
293.15 0.1000 0.0050
303.15 0.1000 0.0072
313.15 0.1000 0.0097
323.15 0.1000 0.0130
333.15 0.1000 0.0198
293.15 0.2000 0.0036
303.15 0.2000 0.0046
313.15 0.2000 0.0066
323.15 0.2000 0.0090
333.15 0.2000 0.0130
293.15 0.3000 0.0025
303.15 0.3000 0.0033
313.15 0.3000 0.0044
323.15 0.3000 0.0057
333.15 0.3000 0.0093
293.15 0.4000 0.0013
303.15 0.4000 0.0020
313.15 0.4000 0.0028
323.15 0.4000 0.0039
333.15 0.4000 0.0066
293.15 0.5000 0.0008
303.15 0.5000 0.0013
313.15 0.5000 0.0019
323.15 0.5000 0.0027
333.15 0.5000 0.0043
293.15 0.6000 0.0005
303.15 0.6000 0.0007
313.15 0.6000 0.0013
323.15 0.6000 0.0014
333.15 0.6000 0.0025
293.15 0.7000 0.0002
303.15 0.7000 0.0005
313.15 0.7000 0.0006
323.15 0.7000 0.0010
333.15 0.7000 0.0015

Mole fraction of Pyrazinamide (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Cyclohexane (3) - Liquid Mole fraction of Pyrazinamide (1) - Liquid
293.15 0.0000 0.0072
303.15 0.0000 0.0107
313.15 0.0000 0.0138
323.15 0.0000 0.0202
333.15 0.0000 0.0285
293.15 0.1000 0.0050
303.15 0.1000 0.0072
313.15 0.1000 0.0097
323.15 0.1000 0.0130
333.15 0.1000 0.0198
293.15 0.2000 0.0036
303.15 0.2000 0.0046
313.15 0.2000 0.0066
323.15 0.2000 0.0090
333.15 0.2000 0.0130
293.15 0.3000 0.0025
303.15 0.3000 0.0033
313.15 0.3000 0.0044
323.15 0.3000 0.0057
333.15 0.3000 0.0093
293.15 0.4000 0.0013
303.15 0.4000 0.0020
313.15 0.4000 0.0028
323.15 0.4000 0.0039
333.15 0.4000 0.0066
293.15 0.5000 0.0008
303.15 0.5000 0.0013
313.15 0.5000 0.0019
323.15 0.5000 0.0027
333.15 0.5000 0.0043
293.15 0.6000 0.0005
303.15 0.6000 0.0007
313.15 0.6000 0.0013
323.15 0.6000 0.0014
333.15 0.6000 0.0025
293.15 0.7000 0.0002
303.15 0.7000 0.0005
313.15 0.7000 0.0006
323.15 0.7000 0.0010
333.15 0.7000 0.0015

Sources