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IUPAC-NIST Solubility Database
NIST Standard Reference Database 106
Solubility System:
1-Butanol with Hexane (n-hexane) and Water
Components:
(1) Water; H2O; [7732-18-5]
NIST Chemistry WebBook
for detail
(2) 1-Butanol (n-butanol, butyl alcohol, n-butyl alcohol); C4H10O; [71-36-3]
NIST Chemistry WebBook
for detail
(3) Hexane (n-hexane); C6H14; [110-54-3]
NIST Chemistry WebBook
for detail
Evaluator:
A. Skrzecz, Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland (1995.09
Critical Evaluation:
A survey of reported compositions along the saturation curve (sat), and compositions of coexisting phases in equilibrium (eq.) for the system 1-butanol-hexane-water is given in Table 75.
Saturation curve
The ternary system 1-butanol-hexane-water forms a miscibility gap of type 2. The system was studied by the titration method in both cases and is presented below at 298.2 K. Two binary systems, hexane-water and 1-butanol-water, form miscibility gaps. The data for these binary systems were compiled and critically evaluated in previously published SDS volumes, Refs. 3 and 4, respectively. The recommended values of mutual solubility at 298 K are: for hexane-water system
x
"
2
=2.3·10
–6
and
x
'
2
=0.999 53, Ref. 3, and for 1-butanol-water system
x
'
1
=0.488 and
x
"
1
=0.0191, Ref. 4. The solubility of water in hexane, reported by Sugi and Katayana
1
(
x
'
2
=0.99949) is consistent with recommended value of Ref. 3, while mutual solubility of 1-butanol-water system (
x
"
1
=0.0151 and
x
'
1
=0.5032) differ a little from recommended data, Ref. 4. Both data sets measured at various temperatures are mutually consistent and are treated as tentative. Compositions of water-rich phase were reported as hexane free in Ref. 1 and therefore this branch cannot be evaluated. The organic-rich phase data of Ref. 1 (saturation and equilibrium data together) were described by the equation:
x
1
=0.694 76+0.046 08 ln(
x
2
)–0.404 41
x
2
–0.283 19
x
2
2
.
The model applies to the region 0.03<
x
2
<0.86, as data reported in Ref. 1. The parameters were calculated by the least-squares method. The standard error of estimate was 0.0017. The points on the saturation curve calculated by the above equation for selected concentrations of hexane in the mixture are presented in Table 76 and in
Figure 40
as a calculated binodal curve (solid line).
Phases in equilibrium
Compositions of coexisting phases in equilibrium for the ternary system 1-butanol-hexane-water were reported only by Sugi and Katyana.
1
Concentration of hexane in the water-rich phase in equilibrium was assumed to be 0.0. The tie lines cover the whole area of the miscibility gap and are consistent within data set. Consequently they are treated as tentative. All experimental data points at 298.2 K are shown in
Figure 40
.
Experimental Data:
(Notes on the Nomenclature)
TABLE 75. Summary of experimental data for the system 1-butanol-1-hexane-water
Author
T/K
DataType
Reference
Sugi and Katayama, 1977
298
sat. (15), eq. (7)
1
Morozov
et al
., 1978
333
sat. (7)
2
TABLE 76. Calculated compositions along the saturation curve 298.2 K
T/K
Mole Fraction x
1
Mole Fraction x
2
298.2
0.488
0.000 Ref. 4
298.2
0.5208
0.0300
298.2
0.5298
0.0400
298.2
0.5398
0.0600
298.2
0.5442
0.0800
298.2
0.5454
0.1000
298.2
0.5445
0.1200
298.2
0.5420
0.1400
298.2
0.5384
0.1600
298.2
0.5338
0.1800
298.2
0.5284
0.2000
298.2
0.5223
0.2200
298.2
0.5156
0.2400
298.2
0.5084
0.2600
298.2
0.5007
0.2800
298.2
0.4925
0.3000
298.2
0.4838
0.3200
298.2
0.4748
0.3400
298.2
0.4654
0.3600
298.2
0.4556
0.3800
298.2
0.4455
0.4000
298.2
0.4350
0.4200
298.2
0.4242
0.4400
298.2
0.4130
0.4600
298.2
0.4016
0.4800
298.2
0.3898
0.5000
298.2
0.3778
0.5200
298.2
0.3654
0.5400
298.2
0.3528
0.5600
298.2
0.3398
0.5800
298.2
0.3266
0.6000
298.2
0.3131
0.6200
298.2
0.2994
0.6400
298.2
0.2853
0.6600
298.2
0.2710
0.6800
298.2
0.2565
0.7000
298.2
0.2416
0.7200
298.2
0.2265
0.7400
298.2
0.2112
0.7600
298.2
0.1956
0.7800
298.2
0.1797
0.8000
298.2
0.1636
0.8200
298.2
0.1472
0.8400
298.2
0.1306
0.8600
298.2
0.0000
0.99953 Ref. 3
298.2
0.0000
2.3 Ref. 3
298.2
0.0191
0.0000 Ref. 4
View Figure 1 for this Evaluation
Notes:
Table 75
Number of experimental points in parentheses.
References: (Click a link to see its experimental data associated with the reference)
1
Sugi, H.; Katayama, T., J. Chem. Eng. Jpn. 10, 400 (1977).
2
Morozov, A.V.; Sarkisov, A.G.;Turovskii, V.B.; Ilyaskin, V.I., Dep. Doc. VINITI 102-78, 1 (1978).
3 Shaw, D.G., ed., Solubility Data Series, Vol. 37, Hydrocarbons with Water and Seawater, Part I: Hydrocarbons C5 to C7 (Pergamon, New York, 1989).
4 Barton, A.F. M., ed., Solubility Data Series, Vol. 15, Alcohols with Water (Pergamon, New York 1984).