Mixture of Acetonitrile + 1,3-Butadiene + Water

Excel

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

1,3-Butadiene

Name
1,3-Butadiene
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChI Key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
Formula
C4H6
SMILES
C=CC=C
Mol. Weight (g/mol)
54.09
CAS
106-99-0

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. Vapor Liquid Equilibrium at Constant Temperature

Vapor Liquid Equilibrium at Constant Temperature [ref]

Operational condition: Temperature, K = 348.15 (VLE)

Fixed Measured
P [kPa] - VLE x1[mol/mol] of 1,3-Butadiene (2) - Liquid x2[mol/mol] of Acetonitrile (1) - Liquid
199.317 0.0383 0.8964
199.317 0.0410 0.8758
248.38 0.0511 0.8966
248.38 0.0518 0.8779
297.309 0.0605 0.8778
297.309 0.0668 0.8680
297.309 0.0698 0.8612
346.372 0.0787 0.8530
346.372 0.0821 0.8270
346.372 0.0931 0.8451
395.301 0.0996 0.8299
395.301 0.1049 0.8395
395.301 0.1161 0.8181
444.363 0.1251 0.8118
444.363 0.1311 0.7953
493.293 0.1659 0.7935
542.355 0.1631 0.7871
542.355 0.1826 0.7551
542.355 0.1847 0.7651
542.355 0.1908 0.7698
199.317 0.0238 0.7703
199.317 0.0236 0.7949
199.317 0.0232 0.7621
199.317 0.0297 0.8223
209.183 0.0214 0.7817
248.38 0.0291 0.7614
248.38 0.0292 0.7678
248.38 0.0392 0.8019
248.38 0.0395 0.7877
248.38 0.0395 0.7839
248.38 0.0304 0.7303
248.38 0.0418 0.8077
248.38 0.0429 0.7792
292.509 0.0537 0.7940
297.309 0.0438 0.7698
297.309 0.0468 0.8013
297.309 0.0500 0.7802
297.309 0.0505 0.7756
297.309 0.0544 0.7680
346.372 0.0627 0.7909
346.372 0.0703 0.7800
346.372 0.0710 0.7515
346.372 0.0745 0.7903
351.438 0.0670 0.8181
356.371 0.0601 0.7507
359.304 0.0718 0.7802
395.567 0.0875 0.7675
400.5 0.0828 0.7683
400.5 0.0895 0.7991
444.63 0.0984 0.7315
444.63 0.1008 0.7274
444.63 0.1100 0.7267
493.293 0.1212 0.7354
493.293 0.1401 0.7064
591.285 0.1587 0.6876
199.317 0.0201 0.6821
199.317 0.0265 0.7043
248.38 0.0305 0.6934
248.38 0.0320 0.6858
297.309 0.0407 0.6628
297.309 0.0510 0.7004
297.309 0.0385 0.6933
346.372 0.0412 0.6873
346.372 0.0537 0.7032
346.372 0.0554 0.6680
395.301 0.0646 0.6672
395.301 0.0652 0.6552
395.301 0.0750 0.6796
444.363 0.0709 0.6615
444.363 0.0886 0.6592
493.293 0.0934 0.6540
493.293 0.1007 0.6505
493.293 0.1037 0.6395
542.355 0.1200 0.6388
591.285 0.1412 0.6209
591.285 0.1697 0.6198

Sources