IUPAC-NIST Solubility Database
NIST Standard Reference Database 106


Glass Ball as Bullet Solubility System: Acetonitrile with 2-Methylbutane

Components:
   (1) 2-Methylbutane; C5H12; [78-78-4]  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, September, 2001

Critical Evaluation:

           Quantitative solubility data for the system of acetonitrile (1) + 2-methylbutane (2) have been reported in the publications listed in Table 1.

        All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The upper critical solution temperature has been reported as 338.2 K.2 The corresponding critical solution composition has been calculated by evaluators as xcl = 0.50 from the data.2

        All experimental values reported1-4 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 = 0.9283, a2= –0.2839, b1 = 0.7857, b2 = –0.7455

(mean standard error of estimate was 0.0191).
        For approximation xcl and UCST determined by Pavlov et al.2 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 points reported1-4 are also presented in Fig. 5.
        Quantitative solubility data for the system of acetonitrile (1) + 2-methylbutane (2) have been reported in the publications listed in Table 1.

        All original data are compiled in the data sheets immediately following this Critical Evaluation.
        The upper critical solution temperature has been reported as 338.2 K.2 The corresponding critical solution composition has been calculated by evaluators as xcl = 0.50 from the data.2

        All experimental values reported1-4 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 = 0.9283, a2= -0.2839, b1 = 0.7857, b2 = -0.7455

(mean standard error of estimate was 0.0191).
        For approximation xcl and UCST determined by Pavlov et al.2 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 points reported1-4 are also presented in Fig. 5.

Experimental Data:   (Notes on the Nomenclature)

Table 1.  Summary of solubility data for the system acetonitrile + 2-methylbutane
AuthorT/KReferenceSolubilityMethod
Burova et al.295 to 3301MutualSynthetic
Pavlov et al.275 to 3382MutualSynthetic
Pavlov et al.282 to 3283(2) in (1)Synthetic
Rakotondramanama et al.2934MutualTitration
Table 2. Calculated mutual solubility of acetonitrile (1) and 2-methylbutane (2)
T/K102 * Mass Fraction w1Mole Fraction x1Comment(s)
273.2  0.70.012Hydrocarbon-rich phase
283.2  1.80.032Hydrocarbon-rich phase
293.2  3.30.056Hydrocarbon-rich phase
298.2  4.10.070Hydrocarbon-rich phase
303.2  5.00.085Hydrocarbon-rich phase
308.2  6.10.103Hydrocarbon-rich phase
313.2  7.40.123Hydrocarbon-rich phase
318.2  8.90.147Hydrocarbon-rich phase
323.310.90.177Hydrocarbon-rich phase
328.213.50.215Hydrocarbon-rich phase
333.217.50.271Hydrocarbon-rich phase
334.218.60.286Hydrocarbon-rich phase
335.220.00.305Hydrocarbon-rich phase
336.221.80.329Hydrocarbon-rich phase
337.224.60.364Hydrocarbon-rich phase
337.726.80.391Hydrocarbon-rich phase
273.290.90.946Acetonitrile-rich phase
283.287.80.927Acetonitrile-rich phase
293.284.40.905Acetonitrile-rich phase
298.282.60.893Acetonitrile-rich phase
303.280.50.879Acetonitrile-rich phase
308.278.30.864Acetonitrile-rich phase
313.275.80.846Acetonitrile-rich phase
318.272.80.825Acetonitrile-rich phase
323.369.30.799Acetonitrile-rich phase
328.265.20.767Acetonitrile-rich phase
333.259.20.718Acetonitrile-rich phase
334.257.40.703Acetonitrile-rich phase
335.255.40.686Acetonitrile-rich phase
336.253.00.665Acetonitrile-rich phase
337.249.50.633Acetonitrile-rich phase
337.746.70.606Acetonitrile-rich phase
View Figure 5 for this Evaluation

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

   1  Burova, G.V.; Kogan, V.B.; Nemtsov, M.S., Zh. Prikl. Khim. (Leningrad) 36, 988 (1963).
   2  Pavlov, S.Yu.; Serafimov, L.A.; Pavlova, S.P.; Kofman, L.S., Zh. Fiz. Khim. 40, 2719 (1966).
   3  Pavlov, S.Yu.; Pavlova, S.P.; Serafimov, L.A.; Kofman, L.S., Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol. 10, 915 (1967).
   4  Rakotondramanana, S.; Borredon, M.E.; Mollnier, J., J. Chem. Eng. Data 32, 308-11 (1987).