IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with 1-Hexadecanol

Components:
   (1) 1-Hexadecanol; C16H34O; [36653-82-4]  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 1-hexadecanol (2) have been reported in two publications. Hoerr et al.1 studied the phase equilibrium of the liquid-liquid-solid system and the mutual solubility of (1) and (2) between 293 and 331 K by the synthetic method. Schmid et al.2 measured of the upper critical temperature solution of components (1) and (2) in the course of a study of binary solubilities of acetonitrile and (C10-C20) alcohols. In addition to these data Francis3 reported the upper critical solution temperature of this system.
        The upper critical solution temperature has been reported as 327.7 K,2 330.7 K,1 and 331.2 K.3 The UCST by Schmid et al.2 is rejected. The average of the remaining values, UCST = 331.0 ± 0.3 K, is treated as tentative. The corresponding critical solution composition has been calculated by the evaluators as xcl = 0.86 from the data of Hoerr et al.1
        Monotectic equilibrium has been reported to occur at 317.7 K.1
        All experimental values reported1 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 = 0.4132 a2= 1.0803, b1 = -0.3432, b2 = -1.5032

(mean standard error of estimate was 0.0057).
        For approximation xcl and UCST from Hoerr et al.1 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 results,1 are also presented in Fig. 16.
        Solubilities in the system comprising acetonitrile (1) and 1-hexadecanol (2) have been reported in two publications. Hoerr et al.1 studied the phase equilibrium of the liquid-liquid-solid system and the mutual solubility of (1) and (2) between 293 and 331 K by the synthetic method. Schmid et al.2 measured of the upper critical temperature solution of components (1) and (2) in the course of a study of binary solubilities of acetonitrile and (C10-C20) alcohols. In addition to these data Francis3 reported the upper critical solution temperature of this system.
        The upper critical solution temperature has been reported as 327.7 K,2 330.7 K,1 and 331.2 K.3 The UCST by Schmid et al.2 is rejected. The average of the remaining values, UCST = 331.0 ± 0.3 K, is treated as tentative. The corresponding critical solution composition has been calculated by the evaluators as xcl = 0.86 from the data of Hoerr et al.1
        Monotectic equilibrium has been reported to occur at 317.7 K.1
        All experimental values reported1 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 = 0.4132 a2= 1.0803, b1 = -0.3432, b2 = -1.5032

(mean standard error of estimate was 0.0057).
        For approximation xcl and UCST from Hoerr et al.1 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 results,1 are also presented in Fig. 16.

Experimental Data:   (Notes on the Nomenclature)

Calculated mutual solubility of acetonitrile and 1-hexadecanol
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
318.217.30.553Alcohol-rich phase
323.222.80.635Alcohol-rich phase
328.232.10.736Alcohol-rich phase
329.235.40.764Alcohol-rich phase
329.737.50.780Alcohol-rich phase
330.240.50.801Alcohol-rich phase
330.442.20.812Alcohol-rich phase
330.543.40.819Alcohol-rich phase
318.288.30.978Acetonitrile-rich phase
323.282.80.966Acetonitrile-rich phase
328.272.60.940Acetonitrile-rich phase
329.268.60.928Acetonitrile-rich phase
329.766.00.920Acetonitrile-rich phase
330.262.80.909Acetonitrile-rich phase
330.460.60.901Acetonitrile-rich phase
330.559.30.896Acetonitrile-rich phase
View Figure 16 for this Evaluation

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

   1  Hoerr, C.W.; Harwood, H.J.; Ralston, A.W., J. Org. Chem. 9, 267 (1944).
   2  Schmid, H.H.O.; Mangold, H.K.; Lundberg, W.O., Microchem. J. 9, 134 (1965).
   3  Francis, A.W., Critical Solution Temperature, Washington, Adv. Chem. Ser. 31 (1961).