IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with Hexane

Components:
   (1) Hexane; C6H14; [110-54-3]  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, October, 2001

Critical Evaluation:

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

        In addition to these data McLure et al.8 determined the upper critical solution temperatures of binary systems composed of acetonitrile + alkanes (C5-C18). All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The hydrocarbon-rich phase data and especially acetonitrile-rich phase data of Lakhanpal et al4 disagree markedly from all other studies and are rejected.

        The upper critical solution temperature of this system has been reported as 350.2 K,3,8 these data are in excellent agreement and this value is recommended. The corresponding critical solution composition has been reported as xcl = 0.583.3
        All experimental values reported1-7 (except Lakhanpal et al.4 ) 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 = 0.9035, a2= -0.2252, b1 = 5.4260, b2 = -4.8743

(mean standard error of estimate was 0.0198).
         For approximation values of xcl and UCST determined by Sinegubova3 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 data 1-7 are also presented in Fig. 8.
        Quantitative solubility data for the system acetonitrile (1) and hexane (2) have been reported in the publications listed in Table 1.

        In addition to these data McLure et al.8 determined the upper critical solution temperatures of binary systems composed of acetonitrile + alkanes (C5-C18). All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The hydrocarbon-rich phase data and especially acetonitrile-rich phase data of Lakhanpal et al.4 disagree markedly from all other studies and are rejected.

        The upper critical solution temperature of this system has been reported as 350.2 K,3,8 these data are in excellent agreement and this value is recommended. The corresponding critical solution composition has been reported as xcl = 0.583.3
        All experimental values reported1-7 (except Lakhanpal et al.4 ) 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 = 0.9035, a2= -0.2252, b1 = 5.4260, b2 = -4.8743

(mean standard error of estimate was 0.0198).
         For approximation values of xcl and UCST determined by Sinegubova3 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 data 1-7 are also presented in Fig. 8.

Experimental Data:   (Notes on the Nomenclature)

Table 1.  Summary of solubility data for the system acetonitrile + hexane
AuthorT/KReferenceSolubilityMethod
Rusling et al.2981MutualTitration
Sugi and Katayama3132MutualSynthetic
Sinugubova279 to 3503MutualSynthetic
Lakhanpal et al.298 to 3214MutualAnalytical
Vinogradova and Shcherbina317 to 3485(2) in (1)Synthetic
Rakotondramanana et al.293 and 3036MutualTitration
Nagata2987MutualAnalytical
Table 2. Calculated mutual solubility of acetonitrile and hexane
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
283.2  1.70.035Hydrocarbon-rich phase
293.2  2.40.050Hydrocarbon-rich phase
303.2  3.50.071Hydrocarbon-rich phase
308.2  4.20.085Hydrocarbon-rich phase
313.2  5.00.100Hydrocarbon-rich phase
318.2  6.00.119Hydrocarbon-rich phase
323.2  7.30.141Hydrocarbon-rich phase
328.2  8.80.168Hydrocarbon-rich phase
333.210.70.201Hydrocarbon-rich phase
338.213.30.243Hydrocarbon-rich phase
343.217.00.301Hydrocarbon-rich phase
348.224.30.403Hydrocarbon-rich phase
349.227.40.442Hydrocarbon-rich phase
349.729.90.473Hydrocarbon-rich phase
350.032.50.503Hydrocarbon-rich phase
283.293.90.970Acetonitrile-rich phase
293.289.10.945Acetonitrile-rich phase
303.284.40.919Acetonitrile-rich phase
308.282.10.906Acetonitrile-rich phase
313.279.90.893Acetonitrile-rich phase
318.277.70.880Acetonitrile-rich phase
323.275.30.865Acetonitrile-rich phase
328.272.80.849Acetonitrile-rich phase
333.270.20.832Acetonitrile-rich phase
338.267.10.811Acetonitrile-rich phase
343.263.10.782Acetonitrile-rich phase
348.255.90.727Acetonitrile-rich phase
349.252.90.702Acetonitrile-rich phase
349.750.30.680Acetonitrile-rich phase
350.047.70.657Acetonitrile-rich phase
View Figure 8 for this Evaluation

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

   1  Rusling, J.F.; Bertsch, R.J.; Barford, R.A.; Rothbart, H.L., J. Chem. Eng. Data 14, 169 (1969).
   2  Sugi, H.; Katayama, T., J. Chem. Eng. Jpn. 11, 167 (1978).
   3  Sinegubova, S.I., Dissertation, Saratov University 1978.
   4  Lakhanpal, M.L.; Mandal, N.J.; Ahuja, S.C., Indian J. Chem. 20A, 1008 (1981).
   5  Vinogradova L.M.; Shcherbina, A.E., Zh. Fiz. Khim. 57, 1268 (1983).
   6  Rakotondramanana, S.; Borredon, M.E.; Mollnier, J., J. Chem. Eng. Data 32, 308-11 (1987).
   7  Nagata, I., Thermochim. Acta 114, 227 (1987).
   8  McLure, I.A.; Rodriguez, A.T.; Ingham, P.A.; Steele, J.F., Fluid Phase Equilib. 8, 271 (1982).