- 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
- 1,2-Ethanediol
- InChI
- InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
- InChI Key
- LYCAIKOWRPUZTN-UHFFFAOYSA-N
- Formula
- C2H6O2
- SMILES
- OCCO
- Mol. Weight (g/mol)
- 62.07
- CAS
- 107-21-1
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Datasets
- Mole fraction (2)
- η - Viscosity, Pa*s (2)
- n0 - Refractive index (Na D-line) (2)
- ρl - Mass density, kg/m3 (2)
- γ - Surface tension liquid-gas, N/m (2)
- Tboil - Boiling temperature at pressure P, K (2)
- Vapor Liquid Equilibrium at Constant Pressure
- Vapor Liquid Equilibrium at Constant Temperature
Mole fraction of Acetonitrile (1) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Mole fraction of Acetonitrile (1) - Liquid | Mole fraction of Acetonitrile (1) - Gas |
|---|---|
| 0.0310 | 0.3510 |
| 0.0820 | 0.6620 |
| 0.1310 | 0.8080 |
| 0.1820 | 0.8820 |
| 0.2320 | 0.9230 |
| 0.3220 | 0.9600 |
| 0.3830 | 0.9730 |
| 0.4320 | 0.9800 |
| 0.4830 | 0.9850 |
| 0.5510 | 0.9900 |
| 0.6190 | 0.9930 |
| 0.6710 | 0.9950 |
| 0.7310 | 0.9960 |
| 0.7820 | 0.9970 |
| 0.8390 | 0.9980 |
| 0.9010 | 0.9990 |
| 0.9310 | 0.9990 |
| 0.9630 | 1.0000 |
| 0.9920 | 1.0000 |
Mole fraction of Acetonitrile (1) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Mole fraction of Acetonitrile (1) - Liquid | Mole fraction of Acetonitrile (1) - Gas |
|---|---|
| 0.0310 | 0.3510 |
| 0.0820 | 0.6620 |
| 0.1310 | 0.8080 |
| 0.1820 | 0.8820 |
| 0.2320 | 0.9230 |
| 0.3220 | 0.9600 |
| 0.3830 | 0.9730 |
| 0.4320 | 0.9800 |
| 0.4830 | 0.9850 |
| 0.5510 | 0.9900 |
| 0.6190 | 0.9930 |
| 0.6710 | 0.9950 |
| 0.7310 | 0.9960 |
| 0.7820 | 0.9970 |
| 0.8390 | 0.9980 |
| 0.9010 | 0.9990 |
| 0.9310 | 0.9990 |
| 0.9630 | 1.0000 |
| 0.9920 | 1.0000 |
Viscosity, Pa*s [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Acetonitrile (1) - Liquid | Viscosity, Pa*s - Liquid |
| 293.15 | 0.0000 | 0.0209 |
| 293.15 | 0.1016 | 0.0130 |
| 293.15 | 0.2004 | 0.0084 |
| 293.15 | 0.3019 | 0.0055 |
| 293.15 | 0.3984 | 0.0035 |
| 293.15 | 0.4901 | 0.0024 |
| 293.15 | 0.6353 | 0.0014 |
| 293.15 | 0.6987 | 0.0011 |
| 293.15 | 0.8061 | 0.0007 |
| 293.15 | 0.8984 | 0.0005 |
| 293.15 | 1.0000 | 0.0004 |
| 298.15 | 0.0000 | 0.0177 |
| 298.15 | 0.1016 | 0.0112 |
| 298.15 | 0.2004 | 0.0074 |
| 298.15 | 0.3019 | 0.0049 |
| 298.15 | 0.3984 | 0.0032 |
| 298.15 | 0.4901 | 0.0022 |
| 298.15 | 0.6353 | 0.0013 |
| 298.15 | 0.6987 | 0.0010 |
| 298.15 | 0.8061 | 0.0007 |
| 298.15 | 0.8984 | 0.0005 |
| 298.15 | 1.0000 | 0.0003 |
| 303.15 | 0.0000 | 0.0137 |
| 303.15 | 0.1016 | 0.0092 |
| 303.15 | 0.2004 | 0.0062 |
| 303.15 | 0.3019 | 0.0043 |
| 303.15 | 0.3984 | 0.0029 |
| 303.15 | 0.4901 | 0.0020 |
| 303.15 | 0.6353 | 0.0012 |
| 303.15 | 0.6987 | 0.0009 |
| 303.15 | 0.8061 | 0.0006 |
| 303.15 | 0.8984 | 0.0004 |
| 303.15 | 1.0000 | 0.0003 |
Viscosity, Pa*s [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Acetonitrile (1) - Liquid | Viscosity, Pa*s - Liquid |
| 293.15 | 0.0000 | 0.0209 |
| 293.15 | 0.1016 | 0.0130 |
| 293.15 | 0.2004 | 0.0084 |
| 293.15 | 0.3019 | 0.0055 |
| 293.15 | 0.3984 | 0.0035 |
| 293.15 | 0.4901 | 0.0024 |
| 293.15 | 0.6353 | 0.0014 |
| 293.15 | 0.6987 | 0.0011 |
| 293.15 | 0.8061 | 0.0007 |
| 293.15 | 0.8984 | 0.0005 |
| 293.15 | 1.0000 | 0.0004 |
| 298.15 | 0.0000 | 0.0177 |
| 298.15 | 0.1016 | 0.0112 |
| 298.15 | 0.2004 | 0.0074 |
| 298.15 | 0.3019 | 0.0049 |
| 298.15 | 0.3984 | 0.0032 |
| 298.15 | 0.4901 | 0.0022 |
| 298.15 | 0.6353 | 0.0013 |
| 298.15 | 0.6987 | 0.0010 |
| 298.15 | 0.8061 | 0.0007 |
| 298.15 | 0.8984 | 0.0005 |
| 298.15 | 1.0000 | 0.0003 |
| 303.15 | 0.0000 | 0.0137 |
| 303.15 | 0.1016 | 0.0092 |
| 303.15 | 0.2004 | 0.0062 |
| 303.15 | 0.3019 | 0.0043 |
| 303.15 | 0.3984 | 0.0029 |
| 303.15 | 0.4901 | 0.0020 |
| 303.15 | 0.6353 | 0.0012 |
| 303.15 | 0.6987 | 0.0009 |
| 303.15 | 0.8061 | 0.0006 |
| 303.15 | 0.8984 | 0.0004 |
| 303.15 | 1.0000 | 0.0003 |
Refractive index (Na D-line) [ref]
Operational conditions:
- Temperature, K = 298.15 (Liquid)
- Pressure, kPa = 100 (Liquid)
| Mole fraction of Acetonitrile (1) - Liquid | Refractive index (Na D-line) - Liquid |
|---|---|
| 0.0000 | 1.43 |
| 0.1016 | 1.423 |
| 0.2004 | 1.415 |
| 0.3019 | 1.407 |
| 0.3984 | 1.399 |
| 0.4901 | 1.391 |
| 0.6353 | 1.378 |
| 0.6987 | 1.372 |
| 0.8061 | 1.361 |
| 0.8984 | 1.352 |
| 1.0000 | 1.34 |
Refractive index (Na D-line) [ref]
Operational conditions:
- Temperature, K = 298.15 (Liquid)
- Pressure, kPa = 100 (Liquid)
| Mole fraction of Acetonitrile (1) - Liquid | Refractive index (Na D-line) - Liquid |
|---|---|
| 0.0000 | 1.43 |
| 0.1016 | 1.423 |
| 0.2004 | 1.415 |
| 0.3019 | 1.407 |
| 0.3984 | 1.399 |
| 0.4901 | 1.391 |
| 0.6353 | 1.378 |
| 0.6987 | 1.372 |
| 0.8061 | 1.361 |
| 0.8984 | 1.352 |
| 1.0000 | 1.34 |
Mass density, kg/m3 [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Acetonitrile (1) - Liquid | Mass density, kg/m3 - Liquid |
| 293.15 | 0.0000 | 1113.0 |
| 293.15 | 0.1016 | 1083.0 |
| 293.15 | 0.2004 | 1054.0 |
| 293.15 | 0.3019 | 1024.0 |
| 293.15 | 0.3984 | 994.0 |
| 293.15 | 0.4901 | 964.0 |
| 293.15 | 0.6353 | 914.0 |
| 293.15 | 0.6987 | 892.0 |
| 293.15 | 0.8061 | 853.0 |
| 293.15 | 0.8984 | 819.0 |
| 293.15 | 1.0000 | 782.0 |
| 298.15 | 0.0000 | 1109.0 |
| 298.15 | 0.1016 | 1079.0 |
| 298.15 | 0.2004 | 1051.0 |
| 298.15 | 0.3019 | 1020.0 |
| 298.15 | 0.3984 | 990.0 |
| 298.15 | 0.4901 | 960.0 |
| 298.15 | 0.6353 | 910.0 |
| 298.15 | 0.6987 | 887.0 |
| 298.15 | 0.8061 | 848.0 |
| 298.15 | 0.8984 | 814.0 |
| 298.15 | 1.0000 | 776.0 |
| 303.15 | 0.0000 | 1106.0 |
| 303.15 | 0.1016 | 1076.0 |
| 303.15 | 0.2004 | 1047.0 |
| 303.15 | 0.3019 | 1017.0 |
| 303.15 | 0.3984 | 986.0 |
| 303.15 | 0.4901 | 956.0 |
| 303.15 | 0.6353 | 905.0 |
| 303.15 | 0.6987 | 882.0 |
| 303.15 | 0.8061 | 843.0 |
| 303.15 | 0.8984 | 809.0 |
| 303.15 | 1.0000 | 771.0 |
Mass density, kg/m3 [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Acetonitrile (1) - Liquid | Mass density, kg/m3 - Liquid |
| 293.15 | 0.0000 | 1113.0 |
| 293.15 | 0.1016 | 1083.0 |
| 293.15 | 0.2004 | 1054.0 |
| 293.15 | 0.3019 | 1024.0 |
| 293.15 | 0.3984 | 994.0 |
| 293.15 | 0.4901 | 964.0 |
| 293.15 | 0.6353 | 914.0 |
| 293.15 | 0.6987 | 892.0 |
| 293.15 | 0.8061 | 853.0 |
| 293.15 | 0.8984 | 819.0 |
| 293.15 | 1.0000 | 782.0 |
| 298.15 | 0.0000 | 1109.0 |
| 298.15 | 0.1016 | 1079.0 |
| 298.15 | 0.2004 | 1051.0 |
| 298.15 | 0.3019 | 1020.0 |
| 298.15 | 0.3984 | 990.0 |
| 298.15 | 0.4901 | 960.0 |
| 298.15 | 0.6353 | 910.0 |
| 298.15 | 0.6987 | 887.0 |
| 298.15 | 0.8061 | 848.0 |
| 298.15 | 0.8984 | 814.0 |
| 298.15 | 1.0000 | 776.0 |
| 303.15 | 0.0000 | 1106.0 |
| 303.15 | 0.1016 | 1076.0 |
| 303.15 | 0.2004 | 1047.0 |
| 303.15 | 0.3019 | 1017.0 |
| 303.15 | 0.3984 | 986.0 |
| 303.15 | 0.4901 | 956.0 |
| 303.15 | 0.6353 | 905.0 |
| 303.15 | 0.6987 | 882.0 |
| 303.15 | 0.8061 | 843.0 |
| 303.15 | 0.8984 | 809.0 |
| 303.15 | 1.0000 | 771.0 |
Surface tension liquid-gas, N/m [ref]
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Acetonitrile (1) - Liquid | Surface tension liquid-gas, N/m - Liquid |
| 283.15 | 0.0102 | 0.0479 |
| 283.15 | 0.0202 | 0.0465 |
| 283.15 | 0.0349 | 0.0449 |
| 283.15 | 0.0488 | 0.0418 |
| 283.15 | 0.0611 | 0.0411 |
| 283.15 | 0.0851 | 0.0390 |
| 283.15 | 0.0936 | 0.0382 |
| 283.15 | 0.1020 | 0.0370 |
| 283.15 | 0.1141 | 0.0368 |
| 283.15 | 0.1260 | 0.0357 |
| 283.15 | 0.1413 | 0.0340 |
| 283.15 | 0.1561 | 0.0332 |
| 283.15 | 0.1765 | 0.0327 |
| 283.15 | 0.1902 | 0.0324 |
| 283.15 | 0.2426 | 0.0320 |
| 283.15 | 0.2900 | 0.0318 |
| 283.15 | 0.3379 | 0.0317 |
| 283.15 | 0.3895 | 0.0315 |
| 283.15 | 0.4202 | 0.0314 |
| 283.15 | 0.5197 | 0.0311 |
| 283.15 | 0.7564 | 0.0306 |
| 283.15 | 0.9008 | 0.0300 |
| 298.15 | 0.0109 | 0.0478 |
| 298.15 | 0.0199 | 0.0475 |
| 298.15 | 0.0361 | 0.0469 |
| 298.15 | 0.0720 | 0.0454 |
| 298.15 | 0.0845 | 0.0450 |
| 298.15 | 0.1012 | 0.0442 |
| 298.15 | 0.1402 | 0.0427 |
| 298.15 | 0.1599 | 0.0405 |
| 298.15 | 0.1992 | 0.0401 |
| 298.15 | 0.2569 | 0.0378 |
| 298.15 | 0.2999 | 0.0364 |
| 298.15 | 0.3500 | 0.0349 |
| 298.15 | 0.4345 | 0.0330 |
| 298.15 | 0.4888 | 0.0323 |
| 298.15 | 0.5699 | 0.0315 |
| 298.15 | 0.6321 | 0.0310 |
| 298.15 | 0.7099 | 0.0305 |
| 298.15 | 0.7765 | 0.0302 |
| 298.15 | 0.8499 | 0.0297 |
| 308.15 | 0.0202 | 0.0464 |
| 308.15 | 0.0349 | 0.0456 |
| 308.15 | 0.0674 | 0.0437 |
| 308.15 | 0.0851 | 0.0428 |
| 308.15 | 0.1021 | 0.0418 |
| 308.15 | 0.1568 | 0.0393 |
| 308.15 | 0.1852 | 0.0379 |
| 308.15 | 0.1987 | 0.0372 |
| 308.15 | 0.2426 | 0.0355 |
| 308.15 | 0.2976 | 0.0340 |
| 308.15 | 0.4144 | 0.0316 |
| 308.15 | 0.4734 | 0.0308 |
| 308.15 | 0.5101 | 0.0304 |
| 308.15 | 0.6453 | 0.0290 |
| 308.15 | 0.7654 | 0.0285 |
| 308.15 | 0.9352 | 0.0278 |
Surface tension liquid-gas, N/m [ref]
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Acetonitrile (1) - Liquid | Surface tension liquid-gas, N/m - Liquid |
| 283.15 | 0.0102 | 0.0479 |
| 283.15 | 0.0202 | 0.0465 |
| 283.15 | 0.0349 | 0.0449 |
| 283.15 | 0.0488 | 0.0418 |
| 283.15 | 0.0611 | 0.0411 |
| 283.15 | 0.0851 | 0.0390 |
| 283.15 | 0.0936 | 0.0382 |
| 283.15 | 0.1020 | 0.0370 |
| 283.15 | 0.1141 | 0.0368 |
| 283.15 | 0.1260 | 0.0357 |
| 283.15 | 0.1413 | 0.0340 |
| 283.15 | 0.1561 | 0.0332 |
| 283.15 | 0.1765 | 0.0327 |
| 283.15 | 0.1902 | 0.0324 |
| 283.15 | 0.2426 | 0.0320 |
| 283.15 | 0.2900 | 0.0318 |
| 283.15 | 0.3379 | 0.0317 |
| 283.15 | 0.3895 | 0.0315 |
| 283.15 | 0.4202 | 0.0314 |
| 283.15 | 0.5197 | 0.0311 |
| 283.15 | 0.7564 | 0.0306 |
| 283.15 | 0.9008 | 0.0300 |
| 298.15 | 0.0109 | 0.0478 |
| 298.15 | 0.0199 | 0.0475 |
| 298.15 | 0.0361 | 0.0469 |
| 298.15 | 0.0720 | 0.0454 |
| 298.15 | 0.0845 | 0.0450 |
| 298.15 | 0.1012 | 0.0442 |
| 298.15 | 0.1402 | 0.0427 |
| 298.15 | 0.1599 | 0.0405 |
| 298.15 | 0.1992 | 0.0401 |
| 298.15 | 0.2569 | 0.0378 |
| 298.15 | 0.2999 | 0.0364 |
| 298.15 | 0.3500 | 0.0349 |
| 298.15 | 0.4345 | 0.0330 |
| 298.15 | 0.4888 | 0.0323 |
| 298.15 | 0.5699 | 0.0315 |
| 298.15 | 0.6321 | 0.0310 |
| 298.15 | 0.7099 | 0.0305 |
| 298.15 | 0.7765 | 0.0302 |
| 298.15 | 0.8499 | 0.0297 |
| 308.15 | 0.0202 | 0.0464 |
| 308.15 | 0.0349 | 0.0456 |
| 308.15 | 0.0674 | 0.0437 |
| 308.15 | 0.0851 | 0.0428 |
| 308.15 | 0.1021 | 0.0418 |
| 308.15 | 0.1568 | 0.0393 |
| 308.15 | 0.1852 | 0.0379 |
| 308.15 | 0.1987 | 0.0372 |
| 308.15 | 0.2426 | 0.0355 |
| 308.15 | 0.2976 | 0.0340 |
| 308.15 | 0.4144 | 0.0316 |
| 308.15 | 0.4734 | 0.0308 |
| 308.15 | 0.5101 | 0.0304 |
| 308.15 | 0.6453 | 0.0290 |
| 308.15 | 0.7654 | 0.0285 |
| 308.15 | 0.9352 | 0.0278 |
Boiling temperature at pressure P, K [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Mole fraction of Acetonitrile (1) - Liquid | Boiling temperature at pressure P, K - Liquid |
|---|---|
| 0.0310 | 457.27 |
| 0.0820 | 439.44 |
| 0.1310 | 425.62 |
| 0.1820 | 414.78 |
| 0.2320 | 406.09 |
| 0.3220 | 394.08 |
| 0.3830 | 387.83 |
| 0.4320 | 383.37 |
| 0.4830 | 379.44 |
| 0.5510 | 374.64 |
| 0.6190 | 370.49 |
| 0.6710 | 367.83 |
| 0.7310 | 364.94 |
| 0.7820 | 362.72 |
| 0.8390 | 360.28 |
| 0.9010 | 358.02 |
| 0.9310 | 356.96 |
| 0.9630 | 355.94 |
| 0.9920 | 354.95 |
Boiling temperature at pressure P, K [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Mole fraction of Acetonitrile (1) - Liquid | Boiling temperature at pressure P, K - Liquid |
|---|---|
| 0.0310 | 457.27 |
| 0.0820 | 439.44 |
| 0.1310 | 425.62 |
| 0.1820 | 414.78 |
| 0.2320 | 406.09 |
| 0.3220 | 394.08 |
| 0.3830 | 387.83 |
| 0.4320 | 383.37 |
| 0.4830 | 379.44 |
| 0.5510 | 374.64 |
| 0.6190 | 370.49 |
| 0.6710 | 367.83 |
| 0.7310 | 364.94 |
| 0.7820 | 362.72 |
| 0.8390 | 360.28 |
| 0.9010 | 358.02 |
| 0.9310 | 356.96 |
| 0.9630 | 355.94 |
| 0.9920 | 354.95 |
Vapor Liquid Equilibrium at Constant Pressure [ref]
Operational condition: Pressure, kPa = 101.3 (VLE)
| Fixed | Measured | |
|---|---|---|
| T [K] - VLE | x1[mol/mol] of Acetonitrile (1) - Liquid | y1[mol/mol] of Acetonitrile (1) - Vapour |
| 470.63 | 0.0000 | 0.0000 |
| 457.27 | 0.0310 | 0.3510 |
| 439.44 | 0.0820 | 0.6620 |
| 425.62 | 0.1310 | 0.8080 |
| 414.78 | 0.1820 | 0.8820 |
| 406.09 | 0.2320 | 0.9230 |
| 394.08 | 0.3220 | 0.9600 |
| 387.83 | 0.3830 | 0.9730 |
| 383.37 | 0.4320 | 0.9800 |
| 379.44 | 0.4830 | 0.9850 |
| 374.64 | 0.5510 | 0.9900 |
| 370.49 | 0.6190 | 0.9930 |
| 367.83 | 0.6710 | 0.9950 |
| 364.94 | 0.7310 | 0.9960 |
| 362.72 | 0.7820 | 0.9970 |
| 360.28 | 0.8390 | 0.9980 |
| 358.02 | 0.9010 | 0.9990 |
| 356.96 | 0.9310 | 0.9990 |
| 355.94 | 0.9630 | 1.0000 |
| 354.95 | 0.9920 | 1.0000 |
| 354.65 | 1.0000 | 1.0000 |
Vapor Liquid Equilibrium at Constant Temperature [ref]
Operational condition: Temperature, K = 323.15 (VLE)
| P [kPa] - VLE | x1[mol/mol] of Acetonitrile (1) - Liquid |
|---|---|
| 0.1040 | 0.0000 |
| 3.3584 | 0.0206 |
| 4.806 | 0.0303 |
| 6.183 | 0.0403 |
| 7.543 | 0.0506 |
| 10.359 | 0.0735 |
| 12.994 | 0.0990 |
| 17.208 | 0.1488 |
| 20.324 | 0.1985 |
| 22.678 | 0.2487 |
| 24.318 | 0.2950 |
| 25.729 | 0.3485 |
| 26.708 | 0.3984 |
| 27.499 | 0.4505 |
| 28.051 | 0.4984 |
| 28.071 | 0.4985 |
| 28.528 | 0.5484 |
| 28.944 | 0.5985 |
| 29.32 | 0.6486 |
| 29.67 | 0.6986 |
| 30.034 | 0.7489 |
| 30.451 | 0.7990 |
| 30.939 | 0.8494 |
| 31.567 | 0.8992 |
| 32.495 | 0.9498 |
| 33.255 | 0.9800 |
| 33.9 | 1.0000 |
Sources
- Dortmund Data Bank Vapor-Liquid Equilibrium Data
- Surface tension of non-ideal binary and ternary liquid mixtures at various temperatures and p = 81.5 kPa
- (Vapour + liquid) equilibria in the ternary system (acetonitrile + n-propanol + ethylene glycol) and corresponding binary systems at 101.3 kPa
- Thermodynamic and transport properties of acetonitrile + alkanediols liquid mixtures at different temperatures, experimental measurements and modeling