Recommended Liquid–Liquid Equilibrium Data. Part 4. 1-Alkanol ...

higher. The solubility of water in 1-alkanols can be calculated
with EoSC in conjunction with Eq. 11. Empirical constants
used in the calculations were obtained from regression
of all available solubility data, which assures the good accuracy
of the constants determination. Once these constants are
established, no experimental solubility data are necessary for
the calculation of the mutual solubility. The calculated solubility
was treated as reference values for selecting the recommended
data. This approach allows us to have confidence
in the internal consistency and good quality of the recommended
data.
5. Description of Tables Containing
the Recommended Data
Each system is presented in separate table, which includes
LLE data along the three phase equilibrium line and optionally
the corresponding figures.
The tables contain data, which deviate from the calculated
solubility by less than 10% or 20%. If more data at the same
LIQUID–LIQUID EQUILBRIUM. 4 1397
temperature fulfills the assumed limit, then only one selected
experimental point was chosen and placed in the table. The
selection was done taking into account the agreement with
the recommended data at other temperatures and the agreement
with the calculated reference solubility. The tables
contain experimental mole fractions of the solute and the
corresponding calculated values. Symbol x 1 denotes mole
fraction of 1-alkanol in water-rich phase, x 2 denotes mole
fraction of water in the 1-alkanol-rich phase. Values denoted
by x 1,calc were calculated with Eq. 11 or 18. The data
necessary for using these equations are given in Table 1.
Values of x 2,calc were calculated with Eq. 27 or 28. Coefficients
of these equations are given in Table 2. These coefficients
were found in the following way: 1 LLE calculations
were performed with EOSC using solubility of
1-alkanols predicted with Eq. 11 or 18 and 2 the calculated
solubility of water was approximated with Eq. 27 or
28. See Tables 3–21.
J. Phys. Chem. Ref. Data, Vol. 35, No. 3, 2006