- Name
- Ethanol
- InChI
- InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChI Key
- LFQSCWFLJHTTHZ-UHFFFAOYSA-N
- Formula
- C2H6O
- SMILES
- CCO
- Mol. Weight (g/mol)
- 46.07
- CAS
- 64-17-5
- 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
- Name
- Cyclohexane
- InChI
- InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
- InChI Key
- XDTMQSROBMDMFD-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- C1CCCCC1
- Mol. Weight (g/mol)
- 84.16
- CAS
- 110-82-7
- 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 Pressure [ref]
Operational condition: Pressure, kPa = 29.77 (VLE)
| Fixed | Measured | ||
|---|---|---|---|
| T [K] - VLE | x1[mol/mol] of Water (4) - Liquid | x2[mol/mol] of Acetic acid, butyl ester (2) - Liquid | x3[mol/mol] of Cyclohexane (3) - Liquid |
| 314.0 | 0.2654 | 0.1093 | 0.0767 |
| 312.85 | 0.1042 | 0.1691 | 0.1669 |
| 311.85 | 0.5328 | 0.0255 | 0.0200 |
| 311.1 | 0.4556 | 0.0658 | 0.0508 |
| 314.45 | 0.2804 | 0.1972 | 0.1076 |
| 313.95 | 0.3214 | 0.1860 | 0.1015 |
| 308.35 | 0.2126 | 0.0662 | 0.1880 |
Vapor Liquid Equilibrium at Constant Pressure [ref]
Operational condition: Pressure, kPa = 58.85 (VLE)
| Fixed | Measured | ||
|---|---|---|---|
| T [K] - VLE | x1[mol/mol] of Water (4) - Liquid | x2[mol/mol] of Acetic acid, butyl ester (2) - Liquid | x3[mol/mol] of Cyclohexane (3) - Liquid |
| 329.55 | 0.2654 | 0.1093 | 0.0767 |
| 328.8 | 0.1042 | 0.1691 | 0.1669 |
| 328.0 | 0.5328 | 0.0255 | 0.0200 |
| 327.35 | 0.4556 | 0.0658 | 0.0508 |
| 330.5 | 0.2804 | 0.1972 | 0.1076 |
| 329.55 | 0.3214 | 0.1860 | 0.1015 |
| 324.25 | 0.2126 | 0.0662 | 0.1880 |
Vapor Liquid Equilibrium at Constant Pressure [ref]
Operational condition: Pressure, kPa = 87.65 (VLE)
| Fixed | Measured | ||
|---|---|---|---|
| T [K] - VLE | x1[mol/mol] of Water (4) - Liquid | x2[mol/mol] of Acetic acid, butyl ester (2) - Liquid | x3[mol/mol] of Cyclohexane (3) - Liquid |
| 339.95 | 0.2654 | 0.1093 | 0.0767 |
| 339.9 | 0.1042 | 0.1691 | 0.1669 |
| 338.95 | 0.5328 | 0.0255 | 0.0200 |
| 337.25 | 0.4556 | 0.0658 | 0.0508 |
| 340.5 | 0.2804 | 0.1972 | 0.1076 |
| 339.95 | 0.3214 | 0.1860 | 0.1015 |
| 335.05 | 0.2126 | 0.0662 | 0.1880 |