Mixture of 3-Methyl-4-nitrobenzoic acid + 1,4-Dioxane + Methyl Alcohol

Excel

3-Methyl-4-nitrobenzoic acid

Name
3-Methyl-4-nitrobenzoic acid
InChI
InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key
XDTTUTIFWDAMIX-UHFFFAOYSA-N
Formula
C8H7NO4
SMILES
Cc1cc(C(=O)O)ccc1[N+](=O)[O-]
Mol. Weight (g/mol)
181.15
CAS
3113-71-1

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

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
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 3-Methyl-4-nitrobenzoic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of 1,4-Dioxane (2) - Liquid Mole fraction of 3-Methyl-4-nitrobenzoic acid (1) - Liquid
283.15 0.1013 0.0074
285.65 0.1013 0.0080
288.15 0.1013 0.0085
290.65 0.1013 0.0091
293.15 0.1013 0.0097
295.65 0.1013 0.0104
298.15 0.1013 0.0111
300.65 0.1013 0.0118
303.15 0.1013 0.0128
305.65 0.1013 0.0137
308.15 0.1013 0.0147
310.65 0.1013 0.0157
313.15 0.1013 0.0169
315.65 0.1013 0.0180
318.15 0.1013 0.0193
283.15 0.1989 0.0097
285.65 0.1989 0.0104
288.15 0.1989 0.0111
290.65 0.1989 0.0119
293.15 0.1989 0.0126
295.65 0.1989 0.0134
298.15 0.1989 0.0144
300.65 0.1989 0.0153
303.15 0.1989 0.0163
305.65 0.1989 0.0174
308.15 0.1989 0.0184
310.65 0.1989 0.0196
313.15 0.1989 0.0209
315.65 0.1989 0.0222
318.15 0.1989 0.0238
283.15 0.3011 0.0118
285.65 0.3011 0.0127
288.15 0.3011 0.0138
290.65 0.3011 0.0149
293.15 0.3011 0.0159
295.65 0.3011 0.0170
298.15 0.3011 0.0181
300.65 0.3011 0.0193
303.15 0.3011 0.0205
305.65 0.3011 0.0218
308.15 0.3011 0.0232
310.65 0.3011 0.0246
313.15 0.3011 0.0261
315.65 0.3011 0.0275
318.15 0.3011 0.0291
283.15 0.3968 0.0173
285.65 0.3968 0.0184
288.15 0.3968 0.0195
290.65 0.3968 0.0208
293.15 0.3968 0.0220
295.65 0.3968 0.0235
298.15 0.3968 0.0252
300.65 0.3968 0.0265
303.15 0.3968 0.0281
305.65 0.3968 0.0297
308.15 0.3968 0.0314
310.65 0.3968 0.0330
313.15 0.3968 0.0350
315.65 0.3968 0.0367
318.15 0.3968 0.0391
283.15 0.5003 0.0208
285.65 0.5003 0.0220
288.15 0.5003 0.0232
290.65 0.5003 0.0247
293.15 0.5003 0.0258
295.65 0.5003 0.0273
298.15 0.5003 0.0287
300.65 0.5003 0.0304
303.15 0.5003 0.0322
305.65 0.5003 0.0339
308.15 0.5003 0.0356
310.65 0.5003 0.0376
313.15 0.5003 0.0394
315.65 0.5003 0.0414
318.15 0.5003 0.0436
283.15 0.5966 0.0235
285.65 0.5966 0.0248
288.15 0.5966 0.0261
290.65 0.5966 0.0275
293.15 0.5966 0.0288
295.65 0.5966 0.0305
298.15 0.5966 0.0319
300.65 0.5966 0.0336
303.15 0.5966 0.0352
305.65 0.5966 0.0370
308.15 0.5966 0.0390
310.65 0.5966 0.0409
313.15 0.5966 0.0430
315.65 0.5966 0.0452
318.15 0.5966 0.0478
283.15 0.7014 0.0270
285.65 0.7014 0.0283
288.15 0.7014 0.0297
290.65 0.7014 0.0312
293.15 0.7014 0.0330
295.65 0.7014 0.0347
298.15 0.7014 0.0366
300.65 0.7014 0.0382
303.15 0.7014 0.0401
305.65 0.7014 0.0421
308.15 0.7014 0.0442
310.65 0.7014 0.0465
313.15 0.7014 0.0489
315.65 0.7014 0.0516
318.15 0.7014 0.0544
283.15 0.7983 0.0315
285.65 0.7983 0.0331
288.15 0.7983 0.0347
290.65 0.7983 0.0362
293.15 0.7983 0.0381
295.65 0.7983 0.0401
298.15 0.7983 0.0424
300.65 0.7983 0.0445
303.15 0.7983 0.0471
305.65 0.7983 0.0497
308.15 0.7983 0.0521
310.65 0.7983 0.0546
313.15 0.7983 0.0572
315.65 0.7983 0.0599
318.15 0.7983 0.0634
283.15 0.8958 0.0350
285.65 0.8958 0.0365
288.15 0.8958 0.0385
290.65 0.8958 0.0402
293.15 0.8958 0.0423
295.65 0.8958 0.0449
298.15 0.8958 0.0473
300.65 0.8958 0.0496
303.15 0.8958 0.0520
305.65 0.8958 0.0546
308.15 0.8958 0.0574
310.65 0.8958 0.0601
313.15 0.8958 0.0627
315.65 0.8958 0.0657
318.15 0.8958 0.0688

Mole fraction of 3-Methyl-4-nitrobenzoic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of 1,4-Dioxane (2) - Liquid Mole fraction of 3-Methyl-4-nitrobenzoic acid (1) - Liquid
283.15 0.1013 0.0074
285.65 0.1013 0.0080
288.15 0.1013 0.0085
290.65 0.1013 0.0091
293.15 0.1013 0.0097
295.65 0.1013 0.0104
298.15 0.1013 0.0111
300.65 0.1013 0.0118
303.15 0.1013 0.0128
305.65 0.1013 0.0137
308.15 0.1013 0.0147
310.65 0.1013 0.0157
313.15 0.1013 0.0169
315.65 0.1013 0.0180
318.15 0.1013 0.0193
283.15 0.1989 0.0097
285.65 0.1989 0.0104
288.15 0.1989 0.0111
290.65 0.1989 0.0119
293.15 0.1989 0.0126
295.65 0.1989 0.0134
298.15 0.1989 0.0144
300.65 0.1989 0.0153
303.15 0.1989 0.0163
305.65 0.1989 0.0174
308.15 0.1989 0.0184
310.65 0.1989 0.0196
313.15 0.1989 0.0209
315.65 0.1989 0.0222
318.15 0.1989 0.0238
283.15 0.3011 0.0118
285.65 0.3011 0.0127
288.15 0.3011 0.0138
290.65 0.3011 0.0149
293.15 0.3011 0.0159
295.65 0.3011 0.0170
298.15 0.3011 0.0181
300.65 0.3011 0.0193
303.15 0.3011 0.0205
305.65 0.3011 0.0218
308.15 0.3011 0.0232
310.65 0.3011 0.0246
313.15 0.3011 0.0261
315.65 0.3011 0.0275
318.15 0.3011 0.0291
283.15 0.3968 0.0173
285.65 0.3968 0.0184
288.15 0.3968 0.0195
290.65 0.3968 0.0208
293.15 0.3968 0.0220
295.65 0.3968 0.0235
298.15 0.3968 0.0252
300.65 0.3968 0.0265
303.15 0.3968 0.0281
305.65 0.3968 0.0297
308.15 0.3968 0.0314
310.65 0.3968 0.0330
313.15 0.3968 0.0350
315.65 0.3968 0.0367
318.15 0.3968 0.0391
283.15 0.5003 0.0208
285.65 0.5003 0.0220
288.15 0.5003 0.0232
290.65 0.5003 0.0247
293.15 0.5003 0.0258
295.65 0.5003 0.0273
298.15 0.5003 0.0287
300.65 0.5003 0.0304
303.15 0.5003 0.0322
305.65 0.5003 0.0339
308.15 0.5003 0.0356
310.65 0.5003 0.0376
313.15 0.5003 0.0394
315.65 0.5003 0.0414
318.15 0.5003 0.0436
283.15 0.5966 0.0235
285.65 0.5966 0.0248
288.15 0.5966 0.0261
290.65 0.5966 0.0275
293.15 0.5966 0.0288
295.65 0.5966 0.0305
298.15 0.5966 0.0319
300.65 0.5966 0.0336
303.15 0.5966 0.0352
305.65 0.5966 0.0370
308.15 0.5966 0.0390
310.65 0.5966 0.0409
313.15 0.5966 0.0430
315.65 0.5966 0.0452
318.15 0.5966 0.0478
283.15 0.7014 0.0270
285.65 0.7014 0.0283
288.15 0.7014 0.0297
290.65 0.7014 0.0312
293.15 0.7014 0.0330
295.65 0.7014 0.0347
298.15 0.7014 0.0366
300.65 0.7014 0.0382
303.15 0.7014 0.0401
305.65 0.7014 0.0421
308.15 0.7014 0.0442
310.65 0.7014 0.0465
313.15 0.7014 0.0489
315.65 0.7014 0.0516
318.15 0.7014 0.0544
283.15 0.7983 0.0315
285.65 0.7983 0.0331
288.15 0.7983 0.0347
290.65 0.7983 0.0362
293.15 0.7983 0.0381
295.65 0.7983 0.0401
298.15 0.7983 0.0424
300.65 0.7983 0.0445
303.15 0.7983 0.0471
305.65 0.7983 0.0497
308.15 0.7983 0.0521
310.65 0.7983 0.0546
313.15 0.7983 0.0572
315.65 0.7983 0.0599
318.15 0.7983 0.0634
283.15 0.8958 0.0350
285.65 0.8958 0.0365
288.15 0.8958 0.0385
290.65 0.8958 0.0402
293.15 0.8958 0.0423
295.65 0.8958 0.0449
298.15 0.8958 0.0473
300.65 0.8958 0.0496
303.15 0.8958 0.0520
305.65 0.8958 0.0546
308.15 0.8958 0.0574
310.65 0.8958 0.0601
313.15 0.8958 0.0627
315.65 0.8958 0.0657
318.15 0.8958 0.0688

Sources