IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with Heptane

Components:
   (1) Heptane; C7H16; [142-82-5]  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, October, 2001

Critical Evaluation:

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

        In addition to these data Francis9 reported the upper critical solution temperature and McLure et al.10 determined of the upper critical temperature solution and critical solution composition for binary solutions of acetonitrile and alkanes (C5-C18). All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The upper critical solution temperature of this system has been reported as 356.85 K,7 357.2 K,1 357.8 K,9 and 358.0 K,10 these data are in reasonable agreement and thus their mean value: UCST = 357.5 ± 0.5 K is recommended. The corresponding critical solution composition has been reported as xcl = 0.63.10
        All experimental values reported2-8 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 this approximation xcl and UCST values from McLure et al.10 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 Table 2. This relationship together with experimental points2-8 are also presented in Fig. 9.
        Quantitative solubility data for the system acetonitrile (1) and heptane (2) have been reported in the publications listed in Table 1.

        In addition to these data Francis9 reported the upper critical solution temperature and McLure et al.10 determined of the upper critical temperature solution and critical solution composition for binary solutions of acetonitrile and alkanes (C5-C18). All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The upper critical solution temperature of this system has been reported as 356.85 K,7 357.2 K,1 357.8 K,9 and 358.0 K,10 these data are in reasonable agreement and thus their mean value: UCST = 357.5 ± 0.5 K is recommended. The corresponding critical solution composition has been reported as xcl = 0.63.10
        All experimental values reported2-8 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 this approximation xcl and UCST values from McLure et al.10 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 Table 2. This relationship together with experimental points2-8 are also presented in Fig. 9.

Experimental Data:   (Notes on the Nomenclature)

Table 1.  Summary of solubility data for the system acetonitrile + heptane
AuthorT/KReferenceSolubilityMethod
Cornish et al.3571UCSTSynthetic
Kharitonova2982MutualTitration
Palmer and Smith3183MutualAnalytical
Kikic and Alessi2914MutualAnalytical
Tripathi and Asselineau3435MutualAnalytical
Lakhanpal et al.298 to 3216MutualAnalytical
Vinogradova and Shcherbina330 to 3557(2) in (1)Synthetic
Nagata2988MutualAnalytical
Table 2. Calculated mutual solubility of acetonitrile (1) and heptane (2)
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
283.2  1.60.037Hydrocarbon-rich phase
293.2  2.20.052Hydrocarbon-rich phase
303.2  3.10.072Hydrocarbon-rich phase
313.2  4.30.098Hydrocarbon-rich phase
318.2  5.10.115Hydrocarbon-rich phase
323.2  6.00.134Hydrocarbon-rich phase
328.2  7.00.156Hydrocarbon-rich phase
333.2  8.40.182Hydrocarbon-rich phase
338.210.00.213Hydrocarbon-rich phase
343.212.10.251Hydrocarbon-rich phase
348.215.00.301Hydrocarbon-rich phase
353.219.70.375Hydrocarbon-rich phase
354.221.10.395Hydrocarbon-rich phase
355.222.90.420Hydrocarbon-rich phase
356.225.10.450Hydrocarbon-rich phase
357.228.70.495Hydrocarbon-rich phase
357.732.00.534Hydrocarbon-rich phase
283.297.40.989Acetonitrile-rich phase
293.293.40.972Acetonitrile-rich phase
303.289.70.955Acetonitrile-rich phase
313.285.90.937Acetonitrile-rich phase
318.284.10.928Acetonitrile-rich phase
323.282.30.919Acetonitrile-rich phase
328.280.20.908Acetonitrile-rich phase
333.278.10.897Acetonitrile-rich phase
338.275.70.884Acetonitrile-rich phase
343.273.10.869Acetonitrile-rich phase
348.269.70.849Acetonitrile-rich phase
353.264.40.815Acetonitrile-rich phase
354.262.80.805Acetonitrile-rich phase
355.260.90.792Acetonitrile-rich phase
356.258.50.775Acetonitrile-rich phase
357.254.60.746Acetonitrile-rich phase
357.750.90.717Acetonitrile-rich phase
View Figure 9 for this Evaluation

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

   1  Cornish, R.E.; Archibald, R.C.; Murphy, E.A.; Evans, H.M., Ind. Eng. Chem. 26, 397 (1934).
   2  Kharitonova, G.I., Dissertation, Saratov University 1971.
   3  Palmer D.A.; Smith, B.D., J. Chem. Eng. Data 17, 71 (1972).
   4  Kikic I.; Alessi, P., Ann. Chim. (Rome) 64, 363 (1974).
   5  Tripathi R.; Asselineau, L., J. Chem. Eng. Data 20, 33 (1975).
   6  Lakhanpal, M.L.; Mandal, N.J.; Ahuja, S.C., Indian J. Chem. 20A, 1008 (1981).
   7  Vinogradova L.M.; Shcherbina, A.E., Zh. Fiz. Khim. 57, 1268 (1983).
   8  Nagata, I., Thermochim. Acta 114, 227 (1987).
   9  Francis, A.W., Critical Solution Temperature, Washington, Adv. Chem. Ser. 31 (1961).
   10  McLure, I.A.; Rodriguez, A.T.; Ingham, P.A.; Steele, J.F., Fluid Phase Equilib. 8, 271 (1982).