IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with Cyclohexane

Components:
   (1) Cyclohexane; C6H12; [110-82-7]  NIST Chemistry WebBook for detail
   (2) Acetonitrile; C2H3N; [75-05-8]  NIST Chemistry WebBook for detail

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

Critical Evaluation:

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

        In addition to these data Ott et al.7 reported extensive measurements of the mutual solubility of components (1) and (2) determined between 0.4 and 15 MPa. The work of Poppe1 defines the influence of pressure on upper critical solution temperature between 0.5 and 12.4 MPa. 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 347.84 K7, 349.2 K8, 349.70 K1 and 349.789 K.5 These data are in reasonable agreement and thus their average value: UCST = 349.1 ± 0.8 K is recommended. The corresponding critical solution composition was reported to be xcl = 0.52695.

        All experimental values reported2-7 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 = 1.0175, a2= -0.5082, b1 = 2.0121, b2 = -1.8689

(mean standard error of estimate was 0.0052).

For approximation xcl and UCST from Vani et al.5 have been used. In the opinion of the evaluator, 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 points reported2-7 are also presented in Fig. 7.


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

        In addition to these data Ott et al.7 reported extensive measurements of the mutual solubility of components (1) and (2) determined between 0.4 and 15 MPa. The work of Poppe1 defines the influence of pressure on upper critical solution temperature between 0.5 and 12.4 MPa. 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 347.84 K7, 349.2 K8, 349.70 K1 and 349.789 K.5 These data are in reasonable agreement and thus their average value: UCST = 349.1 ± 0.8 K is recommended. The corresponding critical solution composition was reported to be xcl = 0.52695.

        All experimental values reported2-7 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 = 1.0175, a2= -0.5082, b1 = 2.0121, b2 = -1.8689

(mean standard error of estimate was 0.0052).

For approximation xcl and UCST from Vani et al.5 have been used. In the opinion of the evaluator, 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 points reported2-7 are also presented in Fig. 7.



Experimental Data:   (Notes on the Nomenclature)

Table 1.  Summary of solubility data for the system acetonitrile + cyclohexane
AuthorT/KReferenceSolubilityMethod
Poppe3501UCSTSynthetic
Nagata and Katoh313 and 3232MutualTitration
Lakhanpal et al.298 to 3213MutualAnalytical
Nagata and Ohta298 and 3184MutualTitration
Vani et al.277 to 3505MutualSynthetic
Rakotondramanana et al.293 to 3136MutualTitration
Ott et al.319 to 3487MutualSynthetic
Francis3498UCSTSynthetic
Table 2. Calculated mutual solubility of acetonitrile (1) and cyclohexane (2)
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
283.2  1.10.022Hydrocarbon-rich phase
293.2  1.80.036Hydrocarbon-rich phase
303.2  2.80.056Hydrocarbon-rich phase
313.2  4.10.081Hydrocarbon-rich phase
318.2  5.00.097Hydrocarbon-rich phase
323.2  6.00.115Hydrocarbon-rich phase
328.2  7.20.138Hydrocarbon-rich phase
333.2  8.80.166Hydrocarbon-rich phase
338.211.00.202Hydrocarbon-rich phase
343.214.20.254Hydrocarbon-rich phase
344.215.20.268Hydrocarbon-rich phase
345.216.10.283Hydrocarbon-rich phase
346.217.40.302Hydrocarbon-rich phase
347.218.90.324Hydrocarbon-rich phase
348.221.10.354Hydrocarbon-rich phase
348.722.60.374Hydrocarbon-rich phase
349.224.70.402Hydrocarbon-rich phase
349.425.90.418Hydrocarbon-rich phase
283.289.20.944Acetonitrile-rich phase
293.286.60.930Acetonitrile-rich phase
303.283.70.913Acetonitrile-rich phase
313.280.30.893Acetonitrile-rich phase
318.278.30.881Acetonitrile-rich phase
323.276.10.867Acetonitrile-rich phase
328.273.60.851Acetonitrile-rich phase
333.270.60.831Acetonitrile-rich phase
338.266.80.805Acetonitrile-rich phase
343.261.60.767Acetonitrile-rich phase
344.260.20.756Acetonitrile-rich phase
345.258.60.744Acetonitrile-rich phase
346.256.90.730Acetonitrile-rich phase
347.254.70.712Acetonitrile-rich phase
348.251.70.687Acetonitrile-rich phase
348.749.80.670Acetonitrile-rich phase
349.247.10.646Acetonitrile-rich phase
349.445.60.632Acetonitrile-rich phase
View Figure 7 for this Evaluation

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

   1  Poppe, G., Bull. Soc. Chim. Belg. 44, 640 (1935).
   2  Nagata I.; Katoh, K., Thermochim. Acta 39, 45 (1980).
   3  Lakhanpal, M.L.; Mandal, N.J.; Ahuja, S.C., Indian J. Chem. 20A, 1008 (1981).
   4  Nagata I.; Ohta, T., J. Chem. Eng. Data 28, 256 (1983).
   5  Vani, V.; Guha, S.; Gopal, E.S.R.; Madhusudana Rao, S.M., Phys. Lett. 99A, 441 (1983); V. Vani, S. Guha, E. S. R. Gopal, J. Chem. Phys. 86, 3999 (1986).
   6  Rakotondramanana, S.; Borredon, M.E.; Mollnier, J., J. Chem. Eng. Data 32, 308-11 (1987).
   7  Ott, J.B.; Purdy, J.E.; Neely, B.J.; Harris, R.A., J. Chem. Thermodyn. 20, 1079 (1988).
   8  Francis, A.W., Ind. Eng. Chem. 36, 1096 (1944).