IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with Hexadecane

Components:
   (1) Hexadecane; C16H34; [544-76-3]  NIST Chemistry WebBook for detail
   (2) Acetonitrile; C2H3N; [75-05-8]  NIST Chemistry WebBook for detail

Evaluator:
   Valerii P. Sazonov and Nikolai V. Sazonov, Technical University, Samara, Russia, November, 2001

Critical Evaluation:

           Solubilities in the system comprising acetonitrile (1) and hexadecane (2) have been reported in four publications. Schmid et al.1 determined the upper critical solution temperature by the synthetic method. Rogalski and Stryjek2 studied the mutual solubility of (1) and (2) between 298 to 418 K by an synthetic method. Stryjek et al.3 reported the mutual solubility of (1) and (2) between 298 K and 413 K at standard temperatures. McLure et al.4 measured of the upper critical temperature solution of components (1) and (2) as part of a study of the binary solubilities of acetonitrile + alkanes (C5-C18).

        The upper critical solution temperature has been reported as 403.7 K,4 417.2 K,1 and 417.65 K.2 The UCST of McLure et al.4 is rejected. The remaining values give an average recommended value of: UCST = 417.5 ± 0.4 K. The corresponding critical solution composition has been reported as xcl = 0.8358.2
        All experimental values reported2 have been approximated by an equation based on the scaling law (described in the introduction to this volume) for which the following parameters have been derived:

a1 = 0.4482, a2= 0.5602, b1 = 3.0206, b2 = -3.6064

(mean standard error of estimate was 0.0254).

        For approximation xcl and UCST from Rogalski and Stryjek2 have been used. In the opinion of the evaluators, the mutual solubilities calculated by this equation may be treated as tentative. The results of calculations for the selected temperatures are presented in the following table. This relationship together with experimental points2-3 are also presented in Fig. 12.
        Solubilities in the system comprising acetonitrile (1) and hexadecane (2) have been reported in four publications. Schmid et al.1 determined the upper critical solution temperature by the synthetic method. Rogalski and Stryjek2 studied the mutual solubility of (1) and (2) between 298 to 418 K by an synthetic method. Stryjek et al.3 reported the mutual solubility of (1) and (2) between 298 and 413 K at standard temperatures. McLure et al.4 measured of the upper critical temperature solution of components (1) and (2) as part of a study of the binary solubilities of acetonitrile + alkanes (C5-C18).

        The upper critical solution temperature has been reported as 403.7 K,4 417.2 K,1 and 417.65 K.2 The UCST of McLure et al.4 is rejected. The remaining values give an average recommended value of: UCST = 417.5 ± 0.4 K. The corresponding critical solution composition has been reported as xcl = 0.8358.2
        All experimental values reported2 have been approximated by an equation based on the scaling law (described in the introduction to this volume) for which the following parameters have been derived:

a1 = 0.4482, a2= 0.5602, b1 = 3.0206, b2 = -3.6064

(mean standard error of estimate was 0.0254).

        For approximation xcl and UCST from Rogalski and Stryjek2 have been used. In the opinion of the evaluators, the mutual solubilities calculated by this equation may be treated as tentative. The results of calculations for the selected temperatures are presented in the following table. This relationship together with experimental points2-3 are also presented in Fig. 12.

Experimental Data:   (Notes on the Nomenclature)

Calculated mutual solubility of acetonitrile (1) and hexadecane (2)
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
313.2  1.70.079Hydrocarbon-rich phase
333.2  3.90.163Hydrocarbon-rich phase
343.2  5.20.209Hydrocarbon-rich phase
353.2  6.70.257Hydrocarbon-rich phase
363.2  8.50.309Hydrocarbon-rich phase
373.210.60.364Hydrocarbon-rich phase
383.213.30.426Hydrocarbon-rich phase
393.216.90.495Hydrocarbon-rich phase
403.222.00.577Hydrocarbon-rich phase
408.225.80.627Hydrocarbon-rich phase
413.231.60.691Hydrocarbon-rich phase
414.233.30.707Hydrocarbon-rich phase
415.235.40.726Hydrocarbon-rich phase
416.238.00.748Hydrocarbon-rich phase
416.740.00.763Hydrocarbon-rich phase
417.242.60.782Hydrocarbon-rich phase
313.299.80.999Acetonitrile-rich phase
333.295.80.991Acetonitrile-rich phase
343.293.10.985Acetonitrile-rich phase
353.291.00.980Acetonitrile-rich phase
363.288.60.974Acetonitrile-rich phase
373.286.20.968Acetonitrile-rich phase
383.284.00.962Acetonitrile-rich phase
393.281.10.954Acetonitrile-rich phase
403.277.10.942Acetonitrile-rich phase
408.274.20.933Acetonitrile-rich phase
413.269.90.918Acetonitrile-rich phase
414.268.50.913Acetonitrile-rich phase
415.266.90.907Acetonitrile-rich phase
416.264.60.898Acetonitrile-rich phase
416.762.80.891Acetonitrile-rich phase
417.260.30.880Acetonitrile-rich phase
View Figure 12 for this Evaluation

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

   1  Schmid, H.H.O.; Mangold, H.K.; Lundberg, W.O.; J. Am. Oil Chem. Soc. 42, 372 (1965).
   2  Rogalski M.; Stryjek, R., Bull. Acad. Pol. Sci., Ser. Sci. Chim. 28, 139 (1980).
   3  Stryjek, R.; Luszczyk, M.; Fedorko-Antosik, M., Bull. Acad. Pol. Sci., Ser. Sci. Chim. 29, 203 (1981).
   4  McLure, I.A.; Rodriguez, A.T.; Ingham, P.A.; Steele, J.F., Fluid Phase Equilib. 8, 271 (1982).