- 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
- 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
- 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
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 |