IUPAC-NIST Solubilities Database

IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Solubility System: 1,1,2,3,4,4-Hexachloro-1,3-butadiene with Water

Components:
   (1) Water; H2O; [7732-18-5]  NIST Chemistry WebBook for detail
   (2) 1,1,2,3,4,4-Hexachloro-1,3-butadiene; C4Cl6; [87-68-3]  NIST Chemistry WebBook for detail

Evaluator:
   A. L. Horvath, Imperial Chemical Industries Limited, Runcorn, U.K., July 1993.

Critical Evaluation:

         The 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) and water (2) binary system is treated in two parts; part 1 is 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) in water (2) and part 2 is water (2) in 1,1,2,3,4,4-hexachloro-1,3-butadiene (1).

      Part 1. The solubility of 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) in water (2) has been studied by eight work groups in the temperature range from 288 to 313 K. The data are in very poor agreement and the absence of other independent studies it is not possible to determine which values are more reliable. Further studies will be necessary before even tentative values can be proposed. All the available data for the solubility of 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) in water (2) in weight percent and mole fraction are summarized in Table 20.

      Part 2. The solubility of water (2) in 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) has been reported in only four works from the same laboratory between 1970 and 1974. The agreement is sufficiently reliable to use in the smoothing equation. All the available data of Simonov et al.,⁸ of Simonov et al.,⁹ of Antropov et al.,¹ and of Simonov et al.¹⁰ were used for fitting the smoothing equation of mole fraction solubility of water in 1,1,2,3,4,4-hexachloro-1,3-butadiene versus the reciprocal of absolute temperature.

log₁₀x₂ = 11.2192 - 4379.80/(T/K)

      This equation, representing the combined data, yielded a standard deviation of 1.83x10^-1 in the temperature range from 288 to 323 K. The tentative solubility values at 5 K intervals for water (2) in 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) in weight percent and mole fraction are presented in Table 21.

      The linear relation between the solubility expressed as log₁₀x₂ versus the reciprocal of absolute temperature is illustrated in Fig. 7. The straight line behavior of such plots is characteristic of the solubility of water in halogenated hydrocarbons; this behavior is discussed in the Preface in greater detail.

Experimental Data:   (Notes on the Nomenclature)

Table 20. Reported solubility of 1,1,2,3,4,4-hexachloro-1,3-butadiene (1) in water (2)
T/K	Reference	Sol. Power	Solubility	Solx10(**)	Sol. Note	x₁ Power	x₁
288.15	1	2	3.2	-4	w1	7	2.21
293.15	2	2	5.0	-4	w1	7	3.45
293.15	1	2	3.8	-4	w1	7	2.62
293.15	3	2	2.0	-4	w1	7	1.38
293.15	4	2	2.0	-4	w1	7	1.38
293.15	5	2	6.075	-4	w1	7	4.20
298.15	6	2	3.24	-4	w1	7	2.20
298.15	7	2	5.003	-4	w1	7	3.46
299.15	1	2	4.12	-4	w1	7	2.85
313.15	8	2	59.0	-4	w1	7	40.8

Table 21. Tentative solubility of water (2) 1,1,2,3,4,4-hexachloro-1,3-butadiene (1)
t/°C	T/K	10² * Mass Fraction w₂	10⁴ * Mole Fraction x₂
15	288.15	7.26 x 10^-4	1.05
20	293.15	1.31 x 10^-3	1.90
25	298.15	2.34 x 10^-3	3.38
30	303.15	4.07 x 10^-3	5.89
35	308.15	7.01 x 10^-3	10.1
40	313.15	1.19 x 10^-2	17.2
45	318.15	1.97 x 10^-2	28.4
50	323.15	3.23 x 10^-2	46.6

View Figure 1 for this Evaluation

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

   1  Antropov, L.I.; Populyai, V.E.; Simonov, V.D.; Shamsutdinov, T.M., Russ. J. Phys. Chem. 1972, 46, 311-2 (VINITI No. 3739-71).
   2  McBee, E.T.; Hatton, R.E., Ind. Eng. Chem. 41, 809-12 (1949).
   3  McConnell, G.; Ferguson, D.M.; Pearson, C.R., Endeavour 1975, 34, 13-8.
   4  Pearson, C.R.; McConnell, G., Proc. Roy. Soc. B. 1975, 189, 305-32.
   5  Oliver, B.G., Chemosphere 14, 1087-106 (1985).
   6  Banerjee, S.; Yalkowsky, S.H.; Valvani, S.C., Environ. Sci. Technol. 1980, 14, 1227-9.
   7  Warner, H.P.; Cohen, J.M.; Ireland, J.C., Determination of Henry's Law Constants of Selected Priority Pollutants, U. S. EPA Technical Report, PB87-212684, Cincinnati, OH., July 1987.
   8  Simonov, V.D.; Shamsutdinov, T.M.; Pogulyai, V.E.; Popova, L.N., Russ. J. Phys. Chem. 1974, 48, 1573-5.
   9  Simonov, V.D.; Pogulyai, V.E.; Shamsutdinov, T.M., Russ. J. Phys. Chem. 1970, 44, 1755-7.
   10  Simonov, V.D., et al., Dokl. Neftekim. Sekt. Bashkir. Respub. Pravl. Vses. Khim. Obshchest. 1971, 346-51.