IUPAC-NIST Solubilities Database

IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Solubility System: 1-Proponal with Hexane (n-hexane) and Water

Components:
   (1) Water; H2O; [7732-18-5]  NIST Chemistry WebBook for detail
   (2) 1-Proponal (n-propanol, propyl alcohol, n-propyl alcohol); C3H8O; [71-23-8]  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 (1994.11)

Critical Evaluation:

      A survey of reported compositions along the saturation curve (sat), and compositions of coexisting phases in equilibrium (eq.) for the system 1-propanol-hexane-water is given in Table 46.

Saturation curve The system 1-propanol-hexane-water forms a miscibility gap of type 1. Only one binary system, hexane-water, is partially miscible. The data for this binary system were compiled and critically evaluated in previously published SDS volume.⁵ The recommended value of mutual solubility of the hexane-water system at 298.2 K are: x'₂=0.999 53 and x"₂=2.3·10^–6. References 1, 2 and 4 also containe mutual solubility data for the binary system. Solubility of water in hexane (x'₂=0.999 49) reported by Sugi and Ktayana⁴ is consistent with recommended value of Ref. 5 while the results of McCants et al.¹ at 310.9 K, and Vorobeva and Karapetyants² at 298.2 K differ significantly because they were measured with the accuracy of 0.001 wt. fraction and therefore are not able to describe properly mutual solubility in the binary system. Composition along the sturation curve were obtained by titration. Data for 298.2 K by Vorobeva and Karapetyants,² by Sugi and Katayana,⁴ and for 310.9 K by McCants et al.¹, are consistent. The miscibility gap built on the basis of McCants et al. data¹ at 310.9 K is a little smaller, as is expected, than that for 298.2 K. Equilibrium data of Koshelkov et al.³ at 334 K were reported at the boiling temperature and are not entirely consistent with one another. The temperature 298.2 K was selected to present phase behavior. These data were used to construct the equation: x₁=0.574 85+0.125 13 ln(x₃)+0.217 41 x₃–0.821 37x²₃. The standard error of estimate was 0.0084. The equation is valid in the region of 0.001<x₃<0.83. The compositions on the saturation curve calculated by the proposed equation are presented in Table 47 for selected concentrations of water in the mixture. The results of calculations (solid line) are also presented graphically in Fig. 23 together with all experimental data reported as 298.2 K.

Phases in equilibrium Compositions of coexisting phases in equilibrium for the ternary system 1-propanol-water are reported in four references. Data of Koshelkov et al.³ were measured at boiling temperatures which were estimated by the compiler to be 334±1 K. In all cases similar procedures were used. When the equilibrium was reached, phases were separated and the composition of each phase was analyzed. The tie lines over the whole range of miscibility gap. Data reported at 298.2 K by Vorobeva and Karapetyants² and by Sugi and Katyama⁴ are in agreement with the exception of the range x₃=0.88–0.90 in the water-rich phase, where experimental equilibrium data are inconsistent, presumably due to the change of the lines direction. The plait point of the system was reported only in Ref. 2 and is x₁=0.214, x₂=0.017. As with the saturation data, equilibrium data of McCants et al¹ are reported at 310.9 K, a slightly higher temperature than in Refs. 2,4. The direction of tie lines at boiling temperatures, Ref. 3, is quite different than those at lower temperatures 298, 311 K, Refs. 1,2,4, but these data are consistent with those measured at boiling temperatures for the system 1-propanol-nonane-water, Ref. 3.

Experimental Data: (Notes on the Nomenclature)

TABLE 46. Summary of experimental data for the system 1-propanol-hexane-water
Author	T/K	DataType	Reference
McCants et al., 1953	311	sat. (16), eq. (5)	1
Vorobeva and Karapetyants, 1967	298	sat. (15), eq. (12)	2
Koshelkov et al., 1974	334	eq. (5)	3
Sugi and Katayama, 1977	298	sat. (22), eq. (5)	4

TABLE 47. Calculated compositions along the saturation curve at 298.2 K
T/K	Mole Fraction x₁	Mole Fraction x₂	x₃ Note
298.2	0.0000	0.000 47	Ref. 5
298.2	0.0893	0.0200
298.2	0.1794	0.0400
298.2	0.2329	0.0600
298.2	0.2709	0.0800
298.2	0.3002	0.1000
298.2	0.3238	0.1200
298.2	0.3432	0.1400
298.2	0.3593	0.1600
298.2	0.3728	0.1800
298.2	0.3841	0.2000
298.2	0.3935	0.2200
298.2	0.4011	0.2400
298.2	0.4073	0.2600
298.2	0.4120	0.2800
298.2	0.4155	0.3000
298.2	0.4177	0.3200
298.2	0.4188	0.3400
298.2	0.4188	0.3600
298.2	0.4178	0.3800
298.2	0.4157	0.4000
298.2	0.4127	0.4200
298.2	0.4088	0.4400
298.2	0.4039	0.4600
298.2	0.3981	0.4800
298.2	0.3915	0.5000
298.2	0.3756	0.5400
298.2	0.3665	0.5600
298.2	0.3565	0.5800
298.2	0.3457	0.6000
298.2	0.3341	0.6200
298.2	0.3217	0.6400
298.2	0.3086	0.6600
298.2	0.2946	0.6800
298.2	0.2799	0.7000
298.2	0.2645	0.7200
298.2	0.2483	0.7400
298.2	0.2313	0.7600
298.2	0.2136	0.7800
298.2	0.1952	0.8000
298.2	0.1760	0.8200
298.2	0.0000	0.999 997 7	Ref. 5

View Figure 1 for this Evaluation

Notes:
Table 46  Number of experimental points in parentheses.

References: (Click a link to see its experimental data associated with the reference)

   1  McCants, J.F.; Jones, J.H.; Hopson, W.H., Ind. Eng. Chem. 1953, 45, 454-6.
   2  Vorobeva, A.I.; Karapetyants, M., Kh., Zh. Fiz. Khim. 41, 1144 (1967).
   3  Koshelkov, V.A.; Pavlenko, T.G.; Titova, V.N.; Timofeev, V.S.; Serafimov, L.A., Tr. Altai. Politekh. Inst. Im, I. I. Polzunova 41, 84 (1974).
   4  Sugi, H.; Katayama, T., J. Chem. Eng. Jpn. 10, 400 (1977).
   5  Shaw, D.G., ed., Solubility Data Series, Vol. 37, Hydrocarbons with Water and Seawater, Part I: Hydrocarbons C5 to C7 (Pergamon, New York, 1989).