Mixture of Isoniazid + Methyl Alcohol + Water

Excel

Isoniazid

Name
Isoniazid
InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChI Key
QRXWMOHMRWLFEY-UHFFFAOYSA-N
Formula
C6H7N3O
SMILES
NNC(=O)c1ccncc1
Mol. Weight (g/mol)
137.14
CAS
54-85-3

Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1

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
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 (2)

Mole fraction of Isoniazid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Methyl Alcohol (2) - Liquid Mole fraction of Isoniazid (1) - Liquid
283.15 0.0000 0.0106
283.15 0.1000 0.0112
283.15 0.2000 0.0125
283.15 0.3000 0.0143
283.15 0.4000 0.0151
283.15 0.5000 0.0146
283.15 0.6000 0.0132
283.15 0.7000 0.0110
283.15 0.8000 0.0088
283.15 0.9000 0.0071
283.15 1.0000 0.0057
288.15 0.0000 0.0134
288.15 0.1000 0.0140
288.15 0.2000 0.0154
288.15 0.3000 0.0174
288.15 0.4000 0.0178
288.15 0.5000 0.0172
288.15 0.6000 0.0155
288.15 0.7000 0.0131
288.15 0.8000 0.0104
288.15 0.9000 0.0083
288.15 1.0000 0.0067
293.15 0.0000 0.0159
293.15 0.1000 0.0170
293.15 0.2000 0.0193
293.15 0.3000 0.0213
293.15 0.4000 0.0218
293.15 0.5000 0.0207
293.15 0.6000 0.0184
293.15 0.7000 0.0155
293.15 0.8000 0.0125
293.15 0.9000 0.0099
293.15 1.0000 0.0080
298.15 0.0000 0.0198
298.15 0.1000 0.0216
298.15 0.2000 0.0241
298.15 0.3000 0.0260
298.15 0.4000 0.0263
298.15 0.5000 0.0248
298.15 0.6000 0.0220
298.15 0.7000 0.0187
298.15 0.8000 0.0152
298.15 0.9000 0.0119
298.15 1.0000 0.0096
303.15 0.0000 0.0240
303.15 0.1000 0.0264
303.15 0.2000 0.0293
303.15 0.3000 0.0310
303.15 0.4000 0.0308
303.15 0.5000 0.0286
303.15 0.6000 0.0254
303.15 0.7000 0.0215
303.15 0.8000 0.0176
303.15 0.9000 0.0139
303.15 1.0000 0.0112
308.15 0.0000 0.0296
308.15 0.1000 0.0329
308.15 0.2000 0.0359
308.15 0.3000 0.0374
308.15 0.4000 0.0367
308.15 0.5000 0.0340
308.15 0.6000 0.0290
308.15 0.7000 0.0257
308.15 0.8000 0.0209
308.15 0.9000 0.0166
308.15 1.0000 0.0131
313.15 0.0000 0.0354
313.15 0.1000 0.0390
313.15 0.2000 0.0428
313.15 0.3000 0.0451
313.15 0.4000 0.0432
313.15 0.5000 0.0403
313.15 0.6000 0.0356
313.15 0.7000 0.0303
313.15 0.8000 0.0244
313.15 0.9000 0.0187
313.15 1.0000 0.0151
318.15 0.0000 0.0421
318.15 0.1000 0.0474
318.15 0.2000 0.0511
318.15 0.3000 0.0519
318.15 0.4000 0.0500
318.15 0.5000 0.0462
318.15 0.6000 0.0408
318.15 0.7000 0.0346
318.15 0.8000 0.0287
318.15 0.9000 0.0228
318.15 1.0000 0.0179
323.15 0.0000 0.0517
323.15 0.1000 0.0574
323.15 0.2000 0.0616
323.15 0.3000 0.0621
323.15 0.4000 0.0600
323.15 0.5000 0.0544
323.15 0.6000 0.0471
323.15 0.7000 0.0407
323.15 0.8000 0.0341
323.15 0.9000 0.0270
323.15 1.0000 0.0211

Mole fraction of Isoniazid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Methyl Alcohol (2) - Liquid Mole fraction of Isoniazid (1) - Liquid
283.15 0.0000 0.0106
283.15 0.1000 0.0112
283.15 0.2000 0.0125
283.15 0.3000 0.0143
283.15 0.4000 0.0151
283.15 0.5000 0.0146
283.15 0.6000 0.0132
283.15 0.7000 0.0110
283.15 0.8000 0.0088
283.15 0.9000 0.0071
283.15 1.0000 0.0057
288.15 0.0000 0.0134
288.15 0.1000 0.0140
288.15 0.2000 0.0154
288.15 0.3000 0.0174
288.15 0.4000 0.0178
288.15 0.5000 0.0172
288.15 0.6000 0.0155
288.15 0.7000 0.0131
288.15 0.8000 0.0104
288.15 0.9000 0.0083
288.15 1.0000 0.0067
293.15 0.0000 0.0159
293.15 0.1000 0.0170
293.15 0.2000 0.0193
293.15 0.3000 0.0213
293.15 0.4000 0.0218
293.15 0.5000 0.0207
293.15 0.6000 0.0184
293.15 0.7000 0.0155
293.15 0.8000 0.0125
293.15 0.9000 0.0099
293.15 1.0000 0.0080
298.15 0.0000 0.0198
298.15 0.1000 0.0216
298.15 0.2000 0.0241
298.15 0.3000 0.0260
298.15 0.4000 0.0263
298.15 0.5000 0.0248
298.15 0.6000 0.0220
298.15 0.7000 0.0187
298.15 0.8000 0.0152
298.15 0.9000 0.0119
298.15 1.0000 0.0096
303.15 0.0000 0.0240
303.15 0.1000 0.0264
303.15 0.2000 0.0293
303.15 0.3000 0.0310
303.15 0.4000 0.0308
303.15 0.5000 0.0286
303.15 0.6000 0.0254
303.15 0.7000 0.0215
303.15 0.8000 0.0176
303.15 0.9000 0.0139
303.15 1.0000 0.0112
308.15 0.0000 0.0296
308.15 0.1000 0.0329
308.15 0.2000 0.0359
308.15 0.3000 0.0374
308.15 0.4000 0.0367
308.15 0.5000 0.0340
308.15 0.6000 0.0290
308.15 0.7000 0.0257
308.15 0.8000 0.0209
308.15 0.9000 0.0166
308.15 1.0000 0.0131
313.15 0.0000 0.0354
313.15 0.1000 0.0390
313.15 0.2000 0.0428
313.15 0.3000 0.0451
313.15 0.4000 0.0432
313.15 0.5000 0.0403
313.15 0.6000 0.0356
313.15 0.7000 0.0303
313.15 0.8000 0.0244
313.15 0.9000 0.0187
313.15 1.0000 0.0151
318.15 0.0000 0.0421
318.15 0.1000 0.0474
318.15 0.2000 0.0511
318.15 0.3000 0.0519
318.15 0.4000 0.0500
318.15 0.5000 0.0462
318.15 0.6000 0.0408
318.15 0.7000 0.0346
318.15 0.8000 0.0287
318.15 0.9000 0.0228
318.15 1.0000 0.0179
323.15 0.0000 0.0517
323.15 0.1000 0.0574
323.15 0.2000 0.0616
323.15 0.3000 0.0621
323.15 0.4000 0.0600
323.15 0.5000 0.0544
323.15 0.6000 0.0471
323.15 0.7000 0.0407
323.15 0.8000 0.0341
323.15 0.9000 0.0270
323.15 1.0000 0.0211

Sources