IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with Octane

Components:
   (1) Acetonitrile; C2H3N; [75-05-8]  NIST Chemistry WebBook for detail
   (2) Octane; C8H18; [111-65-9]  NIST Chemistry WebBook for detail

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

Critical Evaluation:

           Quantitative solubility data for the system acetonitrile (1) and octane (2) have been reported in the publications listed in Table 1.

        In addition to these data McLure et al.6 determined of the upper critical temperature solution and critical solution composition binary systems containing acetonitrile + alkanes (C5-C18). All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The upper critical solution temperature has been reported as 364.7 K,1 364.85 K,4 365.1 K,6 and 365.7 K.2 These data are in reasonable agreement and thus their mean value: UCST = 365.1 ± 0.3 K is recommended. The corresponding critical solution composition has been reported as xcl = 0.67.6 All experimental values reported3-6 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 = 0.9488, a2= -0.3334, b1 = 5.2227, b2 = -4.8685

(mean standard error of estimate was 0.0138).

        For approximation xcl and UCST from McLure et al.6 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 selected temperatures are presented in Table 2. This relationship together with experimental points3-6 are also presented in Fig. 10.
        Quantitative solubility data for the system acetonitrile (1) and octane (2) have been reported in the publications listed in Table 1.

        In addition to these data McLure et al.6 determined of the upper critical temperature solution and critical solution composition binary systems containing acetonitrile + alkanes (C5-C18). All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The upper critical solution temperature has been reported as 364.7 K,1 364.85 K,4 365.1 K,6 and 365.7 K.2 These data are in reasonable agreement and thus their mean value: UCST = 365.1 ± 0.3 K is recommended. The corresponding critical solution composition has been reported as xcl = 0.67.6 All experimental values reported3-6 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 = 0.9488, a2= -0.3334, b1 = 5.2227, b2 = -4.8685

(mean standard error of estimate was 0.0138).

        For approximation xcl and UCST from McLure et al.6 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 selected temperatures are presented in Table 2. This relationship together with experimental points3-6 are also presented in Fig. 10.

Experimental Data:   (Notes on the Nomenclature)

Table 1.  Summary of solubility data for the system acetonitrile + octane
AuthorT/KReferenceSolubilityMethod
Francis3651UCSTNon stated
Schmid et al.3662UCSTSynthetic
Kharitonova2983MutualTitration
Vinogradova and Shcherbina343 to 3654(2) in (1)Synthetic
Nagata2985MutualAnalytical
Table 2. Calculated mutual solubility of acetonitrile and octane
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
293.21.30.035Hydrocarbon-rich phase
303.22.40.064Hydrocarbon-rich phase
313.23.80.098Hydrocarbon-rich phase
323.25.50.139Hydrocarbon-rich phase
333.27.80.190Hydrocarbon-rich phase
343.210.90.254Hydrocarbon-rich phase
353.215.70.342Hydrocarbon-rich phase
358.219.70.406Hydrocarbon-rich phase
363.227.20.510Hydrocarbon-rich phase
364.230.50.550Hydrocarbon-rich phase
364.733.20.580Hydrocarbon-rich phase
364.834.00.589Hydrocarbon-rich phase
364.935.00.600Hydrocarbon-rich phase
365.036.50.615Hydrocarbon-rich phase
293.299.90.999Acetonitrile-rich phase
303.294.40.979Acetonitrile-rich phase
313.289.40.959Acetonitrile-rich phase
323.284.50.938Acetonitrile-rich phase
333.279.70.916Acetonitrile-rich phase
343.274.80.892Acetonitrile-rich phase
353.269.00.861Acetonitrile-rich phase
358.264.90.837Acetonitrile-rich phase
363.257.60.791Acetonitrile-rich phase
364.254.30.768Acetonitrile-rich phase
364.751.60.748Acetonitrile-rich phase
364.850.70.741Acetonitrile-rich phase
364.949.70.733Acetonitrile-rich phase
365.048.20.721Acetonitrile-rich phase
View Figure 10 for this Evaluation

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

   1  Francis, A.W., Critical Solution Temperature, Washington, Adv. Chem. Ser. 31 (1961).
   2  Schmid, H.H.O.; Mangold, H.K.; Lundberg, W.O.; J. Am. Oil Chem. Soc. 42, 372 (1965).
   3  Kharitonova, G.I., Dissertation, Saratov University 1971.
   4  Vinogradova L.M.; Shcherbina, A.E., Zh. Fiz. Khim. 57, 1268 (1983).
   5  Nagata, I., Thermochim. Acta 114, 227 (1987).
   6  McLure, I.A.; Rodriguez, A.T.; Ingham, P.A.; Steele, J.F., Fluid Phase Equilib. 8, 271 (1982).