IUPAC-NIST Solubilities Database

IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Solubility System: Nitroethane with Water

Components:
   (1) Nitroethane; C2H5NO2; [79-24-3]  NIST Chemistry WebBook for detail
   (2) Water; H2O; [7732-18-5]  NIST Chemistry WebBook for detail

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

Critical Evaluation:

           Quantitative solubility data for the nitroethane (1)+water (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 water-rich phase data of Malone and Vining¹ at 298 K and nitroethane-rich phase data of Tolstova and Sheblom² at 293 K disagree markedly from all other studies and are rejected. All other reported data are included in the tables below.
The evaluators obtained the values by graphical interpolation or extrapolation from the data sheets are indicated by an asterisk (*). "Best" values are arithmetic means. The uncertainty limits (σ_n) attached to these values do not have statistical significance and should be regarded only as a convenient representation of the spread of values rather than as error limits. The letter (R) designates "recommended" data. Data are "recommended" if two or more apparently reliable studies are in reasonable (± 5 % relative) agreement. All other data are regarded as tentative only.

The interpolated values reported in the tables above were approximated using an equation based on the scaling law (described in the preface) for which following parameters were derived:

a₁ = 0.50432, a₂ = 0.30838, b₁ = -2.72914, b₂ = 3.07370 (mean standard error of estimate was 0.0288).

For this approximation the values of UCST and x_cl from Zhuravleva, et al.³ have been used. The calculated compositions are within the stated accuracy of the tables at each point. The calculated relationship is presented in Fig. 1 together with the "best" values from the above tables.

The upper critical solution temperature was reported to be 443.7 K.³ The corresponding critical solution composition was reported to be x_cl = 0.227.³ These value are tentative.

Experimental Data: (Notes on the Nomenclature)

Table 1. Summary of solubility data for the system nitroethane + water
Author	T/K	Reference	Solubility	Method
Malone and Vining	298	1	mutual	titration
Tolstova and Sheblom	293	2	mutual	titration
Zhuravleva et al.	295 to 444	3	mutual	synthetic
Hampe	293	4	mutual	not stated
Stephenson	273 to 364	5	mutual	not stated

Table 2. Tentative and recommended (R) values for the solubility nitroethane (1) in water (2)
T/K	Reference	Sol. Power	Solubility	Sol. Note	Best Sol. Power	Best Solubility	Best Sol. Note	x₁
273.2	5	2	4.32	w1	2	4.32	w1	0.0107
283.2	5	2	4.2*	w1	2	4.2	w1	0.010
293.2	2,4,5	2	4.5, 4.68, 4.4*	w1	2	4.5 ± 0.1 (R)	w1	0.011
298.2	3,5	2	4.4, 4.4	w1	2	4.4 (R)	w1	0.011
303.2	3,5	2	4.5, 4.4*	w1	2	4.45 ± 0.05 (R)	w1	0.0111
313.2	3,5	2	4.9, 4.6	w1	2	4.75 ± 0.2 (R)	w1	0.0118
323.2	3,5	2	5.5, 5.1*	w1	2	5.3 ± 0.2 (R)	w1	0.013
333.2	3,5	2	6.2, 5.4	w1	2	5.8 ± 0.4	w1	0.015
343.2	3,5	2	6.9, 5.8	w1	2	6.4 ± 0.5	w1	0.016
353.2	3,5	2	8.8, 6.2	w1	2	7.5 ± 1.3	w1	0.019
363.2	3,5	2	10.8, 6.6	w1	2	8.7 ± 2	w1	0.022
373.2	3	2	12.9*	w1	2	12.9	w1	0.0343
393.2	3	2	16.9*	w1	2	16.9	w1	0.0465
413.2	3	2	23.0*	w1	2	23.0	w1	0.0669
433.2	3	2	35.0	w1	2	35.0	w1	0.115
443.2	3	2	52.5*	w1	2	52.5	w1	0.210

Table 3. Tentative and recommended (R) values for the solubility water (2) in nitroethane (1)
T/K	Reference	Sol. Power	Solubility	Sol. Note	Best Sol. Power	Best Solubility	Best Sol. Note	x₂
273.2	5	2	0.62	w2	2	0.62	w2	0.025
283.2	5	2	0.8*	w2	2	0.8	w2	0.033
293.2	4,5	2	1.05, 1.0*	w2	2	1.0 (R)	w2	0.040
298.2	1,3,5	2	0.86, 0.9, 1.15	w2	2	1.0 ± 0.1	w2	0.040
303.2	9,5	2	1.1, 1.3*	w2	2	1.2 ± 0.1	w2	0.048
313.2	3,5	2	1.4, 1.6	w2	2	1.5 ± 0.1	w2	0.060
323.2	3,5	2	1.8, 1.9	w2	2	1.85 ± 0.05 (R)	w2	0.0728
333.2	3,5	2	2.1, 3.2	w2	2	2.7 ± 0.6	w2	0.104
343.2	3,5	2	2.9, 4.7	w2	2	3.8 ± 0.9	w2	0.141
353.2	3,5	2	4.0, 6.1*	w2	2	5.0 ± 1	w2	0.180
363.2	3,5	2	6.3, 7.1	w2	2	6.7 ± 0.4	w2	0.230
373.2	3	2	8.4*	w2	2	8.4	w2	0.276
393.2	3	2	12.6*	w2	2	12.6	w2	0.375
413.2	3	2	17.1*	w2	2	17.1	w2	0.462
433.2	3	2	24.3*	w2	2	24.3	w2	0.572
443.2	3	2	42.5*	w2	2	42.5	w2	0.755

View Figure 1 for this Evaluation

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

   1  Malone, J.W.; Vining, R.W., J. Chem. Eng. Data 12, 387-9 (1967).
   2  Tolstova, T.S.; Sheblom, T.V., Sb. Nauch. Tr., Gos. Inst. Prikl. Khim. (Leningrad) 20-3 (1975).
   3  Zhuravleva, I.K.; Zhuravlev, E.F.; Khotkovskaya, T.L., Zh. Prikl. Khim. (Leningrad) 49, 2586 (1976); Deposited Doc., VINITI 1951 (1976).
   4  Hampe, M.J., Chem. Ing. Tech. 57, 669-81 (1985).
   5  Stephenson, R.M., J. Chem. Eng. Data 37, 80-95 (1992).