Mixture of Indomethacin + Ethanol + Ethyl Acetate

Excel

Indomethacin

Name
Indomethacin
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChI Key
CGIGDMFJXJATDK-UHFFFAOYSA-N
Formula
C19H16ClNO4
SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
Mol. Weight (g/mol)
357.79
CAS
53-86-1

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

Ethyl Acetate

Name
Ethyl Acetate
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCOC(C)=O
Mol. Weight (g/mol)
88.11
CAS
141-78-6
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Mole fraction (4)
  2. ρl - Mass density, kg/m3 (4)

Mole fraction of Indomethacin (1) [ref]

Operational condition: Pressure, kPa = 101 (Crystal)

Fixed Measured
Solvent: Mass fraction of Ethanol (2) - Crystal Temperature, K - Crystal Mole fraction of Indomethacin (1) - Liquid
0.0000 293.15 0.0105
0.0000 298.15 0.0120
0.0000 303.15 0.0138
0.0000 308.15 0.0157
0.0000 313.15 0.0180
0.1000 293.15 0.0226
0.1000 298.15 0.0248
0.1000 303.15 0.0272
0.1000 308.15 0.0297
0.1000 313.15 0.0325
0.2000 293.15 0.0294
0.2000 298.15 0.0315
0.2000 303.15 0.0345
0.2000 308.15 0.0374
0.2000 313.15 0.0399
0.3000 293.15 0.0309
0.3000 298.15 0.0336
0.3000 303.15 0.0362
0.3000 308.15 0.0391
0.3000 313.15 0.0412
0.4000 293.15 0.0287
0.4000 298.15 0.0314
0.4000 303.15 0.0340
0.4000 308.15 0.0370
0.4000 313.15 0.0391
0.5000 293.15 0.0239
0.5000 298.15 0.0262
0.5000 303.15 0.0285
0.5000 308.15 0.0319
0.5000 313.15 0.0345
0.6000 293.15 0.0184
0.6000 298.15 0.0205
0.6000 303.15 0.0230
0.6000 308.15 0.0260
0.6000 313.15 0.0286
0.7000 293.15 0.0131
0.7000 298.15 0.0151
0.7000 303.15 0.0169
0.7000 308.15 0.0198
0.7000 313.15 0.0222
0.8000 293.15 0.0088
0.8000 298.15 0.0100
0.8000 303.15 0.0118
0.8000 308.15 0.0143
0.8000 313.15 0.0164
0.9000 293.15 0.0056
0.9000 298.15 0.0066
0.9000 303.15 0.0078
0.9000 308.15 0.0097
0.9000 313.15 0.0113
1.0000 293.15 0.0033
1.0000 298.15 0.0042
1.0000 303.15 0.0049
1.0000 308.15 0.0062
1.0000 313.15 0.0074

Mole fraction of Indomethacin (1) [ref]

Operational conditions:

Solvent: Mole fraction of Ethanol (2) - Liquid Mole fraction of Indomethacin (1) - Liquid
0.0000 0.0111
0.0910 0.0197
0.1750 0.0248
0.2890 0.0272
0.3890 0.0300
0.5070 0.0266
0.6100 0.0252
0.7000 0.0206
0.8170 0.0134
0.9160 0.0073
1.0000 0.0044

Mole fraction of Indomethacin (1) [ref]

Operational condition: Pressure, kPa = 101 (Crystal)

Fixed Measured
Solvent: Mass fraction of Ethanol (2) - Crystal Temperature, K - Crystal Mole fraction of Indomethacin (1) - Liquid
0.0000 293.15 0.0105
0.0000 298.15 0.0120
0.0000 303.15 0.0138
0.0000 308.15 0.0157
0.0000 313.15 0.0180
0.1000 293.15 0.0226
0.1000 298.15 0.0248
0.1000 303.15 0.0272
0.1000 308.15 0.0297
0.1000 313.15 0.0325
0.2000 293.15 0.0294
0.2000 298.15 0.0315
0.2000 303.15 0.0345
0.2000 308.15 0.0374
0.2000 313.15 0.0399
0.3000 293.15 0.0309
0.3000 298.15 0.0336
0.3000 303.15 0.0362
0.3000 308.15 0.0391
0.3000 313.15 0.0412
0.4000 293.15 0.0287
0.4000 298.15 0.0314
0.4000 303.15 0.0340
0.4000 308.15 0.0370
0.4000 313.15 0.0391
0.5000 293.15 0.0239
0.5000 298.15 0.0262
0.5000 303.15 0.0285
0.5000 308.15 0.0319
0.5000 313.15 0.0345
0.6000 293.15 0.0184
0.6000 298.15 0.0205
0.6000 303.15 0.0230
0.6000 308.15 0.0260
0.6000 313.15 0.0286
0.7000 293.15 0.0131
0.7000 298.15 0.0151
0.7000 303.15 0.0169
0.7000 308.15 0.0198
0.7000 313.15 0.0222
0.8000 293.15 0.0088
0.8000 298.15 0.0100
0.8000 303.15 0.0118
0.8000 308.15 0.0143
0.8000 313.15 0.0164
0.9000 293.15 0.0056
0.9000 298.15 0.0066
0.9000 303.15 0.0078
0.9000 308.15 0.0097
0.9000 313.15 0.0113
1.0000 293.15 0.0033
1.0000 298.15 0.0042
1.0000 303.15 0.0049
1.0000 308.15 0.0062
1.0000 313.15 0.0074

Mole fraction of Indomethacin (1) [ref]

Operational conditions:

Solvent: Mole fraction of Ethanol (2) - Liquid Mole fraction of Indomethacin (1) - Liquid
0.0000 0.0111
0.0910 0.0197
0.1750 0.0248
0.2890 0.0272
0.3890 0.0300
0.5070 0.0266
0.6100 0.0252
0.7000 0.0206
0.8170 0.0134
0.9160 0.0073
1.0000 0.0044

Mass density, kg/m3 [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (2) - Liquid Mole fraction of Indomethacin (1) - Liquid Mass density, kg/m3 - Liquid
293.15 0.0000 0.0105 914.0
293.15 0.1000 0.0226 918.0
293.15 0.2000 0.0294 918.7
293.15 0.3000 0.0309 913.5
293.15 0.4000 0.0287 902.3
293.15 0.5000 0.0239 886.5
293.15 0.6000 0.0184 869.7
293.15 0.7000 0.0131 849.2
293.15 0.8000 0.0088 830.8
293.15 0.9000 0.0056 813.7
293.15 1.0000 0.0033 798.8
298.15 0.0000 0.0120 910.1
298.15 0.1000 0.0248 915.0
298.15 0.2000 0.0315 915.2
298.15 0.3000 0.0336 910.0
298.15 0.4000 0.0314 899.5
298.15 0.5000 0.0262 884.4
298.15 0.6000 0.0205 866.0
298.15 0.7000 0.0151 846.5
298.15 0.8000 0.0100 828.3
298.15 0.9000 0.0066 811.2
298.15 1.0000 0.0042 796.6
303.15 0.0000 0.0138 906.4
303.15 0.1000 0.0272 912.0
303.15 0.2000 0.0345 912.9
303.15 0.3000 0.0362 908.5
303.15 0.4000 0.0340 898.6
303.15 0.5000 0.0285 882.2
303.15 0.6000 0.0230 865.3
303.15 0.7000 0.0169 845.3
303.15 0.8000 0.0118 827.0
303.15 0.9000 0.0078 809.5
303.15 1.0000 0.0049 794.3
308.15 0.0000 0.0157 902.7
308.15 0.1000 0.0297 910.4
308.15 0.2000 0.0374 912.5
308.15 0.3000 0.0391 907.7
308.15 0.4000 0.0370 897.5
308.15 0.5000 0.0319 883.0
308.15 0.6000 0.0260 866.1
308.15 0.7000 0.0198 846.8
308.15 0.8000 0.0143 828.0
308.15 0.9000 0.0097 809.6
308.15 1.0000 0.0062 793.2
313.15 0.0000 0.0180 899.6
313.15 0.1000 0.0325 908.3
313.15 0.2000 0.0399 910.0
313.15 0.3000 0.0412 905.2
313.15 0.4000 0.0391 895.7
313.15 0.5000 0.0345 881.9
313.15 0.6000 0.0286 865.4
313.15 0.7000 0.0222 846.8
313.15 0.8000 0.0164 827.8
313.15 0.9000 0.0113 809.0
313.15 1.0000 0.0074 792.1

Mass density, kg/m3 [ref]

Operational conditions:

Solvent: Mole fraction of Ethanol (2) - Liquid Mass density, kg/m3 - Liquid
0.0000 900.0
0.0910 900.0
0.1750 897.0
0.2890 896.0
0.3890 893.0
0.5070 883.0
0.6100 875.0
0.7000 859.0
0.8170 832.0
0.9160 804.0
1.0000 786.0

Mass density, kg/m3 [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Ethanol (2) - Liquid Mole fraction of Indomethacin (1) - Liquid Mass density, kg/m3 - Liquid
293.15 0.0000 0.0105 914.0
293.15 0.1000 0.0226 918.0
293.15 0.2000 0.0294 918.7
293.15 0.3000 0.0309 913.5
293.15 0.4000 0.0287 902.3
293.15 0.5000 0.0239 886.5
293.15 0.6000 0.0184 869.7
293.15 0.7000 0.0131 849.2
293.15 0.8000 0.0088 830.8
293.15 0.9000 0.0056 813.7
293.15 1.0000 0.0033 798.8
298.15 0.0000 0.0120 910.1
298.15 0.1000 0.0248 915.0
298.15 0.2000 0.0315 915.2
298.15 0.3000 0.0336 910.0
298.15 0.4000 0.0314 899.5
298.15 0.5000 0.0262 884.4
298.15 0.6000 0.0205 866.0
298.15 0.7000 0.0151 846.5
298.15 0.8000 0.0100 828.3
298.15 0.9000 0.0066 811.2
298.15 1.0000 0.0042 796.6
303.15 0.0000 0.0138 906.4
303.15 0.1000 0.0272 912.0
303.15 0.2000 0.0345 912.9
303.15 0.3000 0.0362 908.5
303.15 0.4000 0.0340 898.6
303.15 0.5000 0.0285 882.2
303.15 0.6000 0.0230 865.3
303.15 0.7000 0.0169 845.3
303.15 0.8000 0.0118 827.0
303.15 0.9000 0.0078 809.5
303.15 1.0000 0.0049 794.3
308.15 0.0000 0.0157 902.7
308.15 0.1000 0.0297 910.4
308.15 0.2000 0.0374 912.5
308.15 0.3000 0.0391 907.7
308.15 0.4000 0.0370 897.5
308.15 0.5000 0.0319 883.0
308.15 0.6000 0.0260 866.1
308.15 0.7000 0.0198 846.8
308.15 0.8000 0.0143 828.0
308.15 0.9000 0.0097 809.6
308.15 1.0000 0.0062 793.2
313.15 0.0000 0.0180 899.6
313.15 0.1000 0.0325 908.3
313.15 0.2000 0.0399 910.0
313.15 0.3000 0.0412 905.2
313.15 0.4000 0.0391 895.7
313.15 0.5000 0.0345 881.9
313.15 0.6000 0.0286 865.4
313.15 0.7000 0.0222 846.8
313.15 0.8000 0.0164 827.8
313.15 0.9000 0.0113 809.0
313.15 1.0000 0.0074 792.1

Mass density, kg/m3 [ref]

Operational conditions:

Solvent: Mole fraction of Ethanol (2) - Liquid Mass density, kg/m3 - Liquid
0.0000 900.0
0.0910 900.0
0.1750 897.0
0.2890 896.0
0.3890 893.0
0.5070 883.0
0.6100 875.0
0.7000 859.0
0.8170 832.0
0.9160 804.0
1.0000 786.0

Sources