- 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
- 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
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Datasets
- Activity coefficient (2)
- Henry's Law constant (mole fraction scale), kPa (2)
- Vapor Liquid Equilibrium at Constant Temperature
Activity coefficient of 1,3-Butadiene (1) [ref]
Operational condition: Mole fraction = 0 (Gas)
| Temperature, K - Gas | Activity coefficient of 1,3-Butadiene (1) - Gas |
|---|---|
| 374.00 | 5.0 |
| 393.30 | 4.7 |
| 412.50 | 4.2 |
Activity coefficient of 1,3-Butadiene (1) [ref]
Operational condition: Mole fraction = 0 (Gas)
| Temperature, K - Gas | Activity coefficient of 1,3-Butadiene (1) - Gas |
|---|---|
| 374.00 | 5.0 |
| 393.30 | 4.7 |
| 412.50 | 4.2 |
Henry's Law constant (mole fraction scale), kPa of 1,3-Butadiene (1) [ref]
Operational condition: Mole fraction = 0 (Liquid)
| Temperature, K - Liquid | Henry's Law constant (mole fraction scale), kPa of 1,3-Butadiene (1) - Liquid |
|---|---|
| 374.00 | 7000.0 |
| 393.30 | 8900.0 |
| 412.50 | 10500.0 |
| 431.60 | 11200.0 |
| 451.00 | 11700.0 |
| 470.10 | 12100.0 |
| 489.50 | 12000.0 |
| 513.38 | 8700.0 |
Henry's Law constant (mole fraction scale), kPa of 1,3-Butadiene (1) [ref]
Operational condition: Mole fraction = 0 (Liquid)
| Temperature, K - Liquid | Henry's Law constant (mole fraction scale), kPa of 1,3-Butadiene (1) - Liquid |
|---|---|
| 374.00 | 7000.0 |
| 393.30 | 8900.0 |
| 412.50 | 10500.0 |
| 431.60 | 11200.0 |
| 451.00 | 11700.0 |
| 470.10 | 12100.0 |
| 489.50 | 12000.0 |
| 513.38 | 8700.0 |
Vapor Liquid Equilibrium at Constant Temperature [ref]
Operational condition: Temperature, K = 323.15 (VLE)
| Fixed | Measured | |
|---|---|---|
| P [kPa] - VLE | x1[mol/mol] of 1,3-Butadiene (1) - Liquid | y1[mol/mol] of 1,3-Butadiene (1) - Vapour |
| 55.329 | 0.0000 | 0.0000 |
| 286.91 | 0.1000 | 0.8230 |
| 418.766 | 0.2000 | 0.8880 |
| 487.293 | 0.3000 | 0.9090 |
| 528.89 | 0.4000 | 0.9200 |
| 552.221 | 0.5000 | 0.9270 |
| 561.154 | 0.6000 | 0.9300 |
| 567.287 | 0.7000 | 0.9330 |
| 573.686 | 0.8000 | 0.9370 |
| 582.219 | 0.9000 | 0.9450 |
| 571.686 | 1.0000 | 1.0000 |