Mixture of Acetonitrile + Acetic acid, butyl ester + Water

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Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

Acetic acid, butyl ester

Name
Acetic acid, butyl ester
InChI
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChI Key
DKPFZGUDAPQIHT-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCCCOC(C)=O
Mol. Weight (g/mol)
116.16
CAS
123-86-4

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
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Datasets

  1. Vapor Liquid Equilibrium at Constant Pressure

Vapor Liquid Equilibrium at Constant Pressure [ref]

Operational condition: Pressure, kPa = 101.32 (VLE)

Fixed Measured
T [K] - VLE x1[mol/mol] of Acetonitrile (1) - Liquid x2[mol/mol] of Water (3) - Liquid y1[mol/mol] of Acetonitrile (1) - Vapour y2[mol/mol] of Water (3) - Vapour
354.72 1.0000 0.0000 1.0000 0.0000
373.15 0.0000 1.0000 0.0000 1.0000
399.0 0.0000 0.0000 0.0000 0.0000
349.9 0.7043 0.2732 0.6809 0.3062
349.98 0.6148 0.3610 0.6480 0.3359
350.07 0.7652 0.2162 0.7128 0.2783
350.15 0.5372 0.4442 0.6240 0.3571
350.35 0.8133 0.1714 0.7471 0.2459
350.39 0.4488 0.5395 0.6073 0.3707
350.49 0.6325 0.2814 0.6181 0.3393
350.51 0.5767 0.3454 0.5906 0.3630
350.59 0.6570 0.2537 0.6302 0.3274
350.67 0.6981 0.2198 0.6567 0.3052
350.81 0.7461 0.1831 0.6946 0.2762
350.89 0.8742 0.1188 0.7962 0.2004
351.15 0.7846 0.1485 0.7262 0.2466
351.74 0.9090 0.0802 0.8337 0.1599
352.02 0.8925 0.0803 0.8329 0.1531
352.26 0.8493 0.0894 0.7993 0.1755
352.38 0.8717 0.0784 0.8156 0.1615
352.76 0.8508 0.0771 0.8093 0.1596
353.2 0.9488 0.0500 0.9105 0.0893
353.36 0.9494 0.0471 0.9288 0.0695
353.56 0.8116 0.0703 0.7955 0.1590
353.6 0.9449 0.0431 0.9143 0.0816
353.7 0.9628 0.0359 0.9355 0.0635
353.82 0.9561 0.0267 0.9324 0.0608
354.0 0.7908 0.0691 0.7903 0.1567
354.02 0.9228 0.0430 0.9076 0.0776
354.16 0.9379 0.0256 0.9230 0.0612
354.32 0.9860 0.0114 0.9737 0.0250
354.46 0.8991 0.0435 0.8984 0.0780
354.5 0.9217 0.0243 0.9178 0.0596
354.9 0.8922 0.0245 0.9053 0.0608
355.36 0.8681 0.0263 0.8977 0.0606
355.44 0.7220 0.0604 0.7703 0.1557
355.81 0.6516 0.0707 0.7168 0.1940
355.89 0.8377 0.0359 0.8914 0.0588
356.51 0.8142 0.0231 0.8825 0.0578
356.59 0.6014 0.0735 0.6937 0.2037
357.07 0.7867 0.0238 0.8773 0.0540
357.71 0.7598 0.0213 0.8641 0.0640
358.36 0.7176 0.0324 0.8679 0.0474
358.44 0.5096 0.0664 0.6515 0.2184
359.06 0.7001 0.0160 0.8607 0.0449
359.78 0.6690 0.0179 0.8501 0.0455
360.17 0.4353 0.0631 0.6116 0.2340
360.49 0.6404 0.0172 0.8424 0.0451
361.34 0.6113 0.0139 0.8324 0.0423
362.52 0.5664 0.0150 0.8210 0.0378
362.74 0.5002 0.0226 0.7477 0.1051
363.47 0.5353 0.0138 0.8090 0.0371
364.28 0.4625 0.0169 0.7374 0.0957
364.67 0.3509 0.0378 0.6011 0.1922
365.0 0.4018 0.0297 0.6770 0.1318
365.39 0.4356 0.0178 0.7288 0.0791
366.02 0.3899 0.0219 0.6795 0.1184
366.65 0.3246 0.0320 0.5992 0.1715
368.33 0.3026 0.0308 0.5939 0.1553
372.34 0.2213 0.0301 0.5148 0.1647
372.63 0.2499 0.0154 0.5788 0.1128
374.67 0.1972 0.0192 0.5215 0.1436
383.4 0.1224 0.0087 0.4101 0.0641

Sources