IUPAC-NIST Solubilities Database

IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Solubility System: Nitroethane with 3-Methylpentane

Components:
   (1) 3-Methylpentane; C6H14; [96-14-0]  NIST Chemistry WebBook for detail
   (2) Nitroethane; C2H5NO2; [79-24-3]  NIST Chemistry WebBook for detail

Evaluator:
   V P. Sazonov, Technical University, Samara, Russia, May, 2000.

Critical Evaluation:

            Quantitative solubility data for the system nitroethane + 3-methylpentane were reported in the publications listed in Table 1.

         Reeder et al.⁴ studied of the excess volumes of mixtures of (1) and (2) at 298.596 K. Beysens and Tufeu⁶ determined of the variation of the critical temperature as a function of pressure (from 500 to 12500 kPa). Khosla and Widom⁷ determined the densities and surface tensions of the equilibrium liquid phases critical mixture of (1) and (2) between 288 and 300 K. Pegg and McLure¹⁰ studied shear viscosities and densities of the equilibrium liquid phases in critical mixtures of (1) and (2) between 292 and 300 K. Apart from one further publication⁸ which did not contain sufficient information to justify inclusion, all original data are compiled in the data sheets immediately following this Critical Evaluation.
        All experimental values reported in Wims et al.¹ (treated with the same weighing factor) were approximated by an equation based on the scaling law (described in the preface to this volume) for which the following parameters were derived: a₁ = 0.969 85, a₂ = -0.596 64, b₁ = -0.000 33, b₂ = -0.734 08     (mean standard error of estimate was 0.0051).
         For this approximation x_c1 and UCST from five references^1-3,6,8 were used. In the opinion of the evaluator, the mutual solubilities calculated by this equation may be treated as tentative. The results of calculations for selected temperatures are presented in Table 2 and Table 3. This relationship together with experimental points reported in Wims et al.¹ is also presented in Fig. 4.

         The upper critical solution temperature has been reported as 293.2 K (Balasubramanaian and Mitra⁵), 299.09 K (Burstyn and Sengers⁸), 299.545 K,⁷ 299.574 K, ² 299.600 K,^6,9 299.608 and 299.622 K [Wims et al.,¹ two methods] and 299.692 K.³ The data of Balasubramanaian and Mitra⁵ are in marked disagreement with all other studies and are rejected. The UCST of Tanaka and Wada,⁸ also is rejected. Thus, the recommended value are: T_c = (299.604 ± 0.032) K.
         The corresponding critical solution composition has been reported as x_c1 = 0.500.^1-3,6,8 This value is recommended.

Experimental Data:   (Notes on the Nomenclature)

Table 1. Summary of solubility data for the system nitroethane + 3-methylpentane
Author	T/K	Reference	Solubility	Method
Wims et al.	297 to 300	1	mutual	synthetic
Stein et al.	299.574	2	USCT	synthetic
Tsai and McIntyre	299.692	3	UCST	synthetic
Reeder et al.	298.596	4	mutual	not stated
Balasurbramanaian and Mitra	293.2	5	UCST	titration
Beysens and Tufeu	300 to 301	6	UCST	synthetic
Khosla and Widom	299.600	7	UCST	synthetic
Burstyn and Sengers	299.545	8	UCST	synthetic
Tanaka and Wada	299.09	9	UCST	synthetic

Table 2. Mutual solubility of nitroethane and 3-methylpentane
T/K	10² * Mass Fraction w₁	Mole Fraction x₁	Comment(s)
297.0	26.0	0.287	hydrocarbon-rich phase
297.5	27.4	0.302	hydrocarbon-rich phase
298.0	29.1	0.320	hydrocarbon-rich phase
298.5	31.2	0.342	hydrocarbon-rich phase
299.0	34.0	0.372	hydrocarbon-rich phase
299.1	34.8	0.380	hydrocarbon-rich phase
299.2	35.7	0.388	hydrocarbon-rich phase
299.3	36.6	0.399	hydrocarbon-rich phase
299.4	37.9	0.412	hydrocarbon-rich phase
299.5	39.6	0.430	hydrocarbon-rich phase

Table 3. Mutual solubility of nitroethane and 3-methylpentane
T/K	10² * Mass Fraction w₁	Mole Fraction x₁	Comment(s)
297.0	66.2	0.692	nitroethane-rich phase
297.5	64.9	0.680	nitroethane-rich phase
298.0	63.5	0.666	nitroethane-rich phase
298.5	61.6	0.648	nitroethane-rich phase
299.0	58.9	0.622	nitroethane-rich phase
299.1	58.2	0.615	nitroethane-rich phase
299.2	57.5	0.608	nitroethane-rich phase
299.3	56.4	0.598	nitroethane-rich phase
299.4	55.2	0.586	nitroethane-rich phase
299.5	53.5	0.569	nitroethane-rich phase

View Figure 1 for this Evaluation

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

   1  Wims, A.M.; McIntyre, D.; Hynne, F., J. Chem. Phys. 50, 616-20 (1969).
   2  Stein, A.; Allegra, J.C.; Allen, G.F., J. Chem. Phys. 55, 4265-9 (1971).
   3  Tsai, B.C.; McIntyre, D.J., J. Chem. Phys. 60, 937-45 (1974).
   4  Reeder, J.; Block, T.E.; Knobler, C.M., J. Chem. Thermodyn. 8,133-40 (1976).
   5  Balasubramanaian D.; Mitra, P., J. Phys. Chem. 83, 2724-7 (1979).
   6  Beysens D.; Tufeu, R., Rev. Phys. Appl. 14, 907-9 (1979).
   7  Khosla, M.P.; Widom, B., J. Colloid Interface Sci. 76, 375 (1980).
   8  Burstyn, H.C.; Sengers, J.V., Phys. Rev. A. Gen. Phys. 55, 448 (1982).
   9  Tanaka, H.; Wada, Y., Chem. Phys. 78, 143-9 (1983).
   10  Pegg, I.L.; McLure, I.A., Mol. Phys. 53, 897-916 (1984).