Mixture of Butanedioic acid + Carbamazepine + Acetone

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Butanedioic acid

Name
Butanedioic acid
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key
KDYFGRWQOYBRFD-UHFFFAOYSA-N
Formula
C4H6O4
SMILES
O=C(O)CCC(=O)O
Mol. Weight (g/mol)
118.09
CAS
110-15-6

Carbamazepine

Name
Carbamazepine
InChI
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChI Key
FFGPTBGBLSHEPO-UHFFFAOYSA-N
Formula
C15H12N2O
SMILES
NC(=O)N1c2ccccc2C=Cc2ccccc21
Mol. Weight (g/mol)
236.27
CAS
298-46-4

Acetone

Name
Acetone
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key
CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CC(C)=O
Mol. Weight (g/mol)
58.08
CAS
67-64-1
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Datasets

  1. Mole fraction (14)

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0341
308.15 0.0411

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0008
308.15 0.0009

Mole fraction of Carbamazepine (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid
298.15 0.0028
308.15 0.0047

Mole fraction of Carbamazepine (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid
298.15 0.0186
308.15 0.0319

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0344 0.0024
298.15 0.0352 0.0011
298.15 0.0358 0.0000
308.15 0.0416 0.0037
308.15 0.0426 0.0016
308.15 0.0434 0.0000

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0000 0.0128
298.15 0.0002 0.0143
298.15 0.0004 0.0157
298.15 0.0007 0.0178
308.15 0.0000 0.0206
308.15 0.0002 0.0230
308.15 0.0005 0.0267
308.15 0.0008 0.0303

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0028 0.0108
298.15 0.0241 0.0049
308.15 0.0050 0.0130
308.15 0.0322 0.0079

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0341
308.15 0.0411

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0008
308.15 0.0009

Mole fraction of Carbamazepine (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid
298.15 0.0028
308.15 0.0047

Mole fraction of Carbamazepine (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid
298.15 0.0186
308.15 0.0319

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0344 0.0024
298.15 0.0352 0.0011
298.15 0.0358 0.0000
308.15 0.0416 0.0037
308.15 0.0426 0.0016
308.15 0.0434 0.0000

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0000 0.0128
298.15 0.0002 0.0143
298.15 0.0004 0.0157
298.15 0.0007 0.0178
308.15 0.0000 0.0206
308.15 0.0002 0.0230
308.15 0.0005 0.0267
308.15 0.0008 0.0303

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Carbamazepine (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.15 0.0028 0.0108
298.15 0.0241 0.0049
308.15 0.0050 0.0130
308.15 0.0322 0.0079

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