IUPAC-NIST Solubilities Database

IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Solubility System: Ethene with Alkanes, neohexane and squalane

Components:
   (1) Ethene; C2H4; [74-85-1]  NIST Chemistry WebBook for detail
   (2) Alkanes, neohexane and squalane; ; []  NIST Chemistry WebBook for detail

Evaluator:
   Walter Hayduk, Department of Chemical Engineering, University of Ottawa, Ottawa, ON, Canada, K1N 6N5
September, 1992

Critical Evaluation:

   Critical Evaluation of Ethene Solubility in Alkanes, Neohexane and Squalane for Pressures up to 101.3 kPa

Data for solubility of ethene have been reported by ten groups of researchers^1-10 for some of the alkane solvents from pentane to docosane as well as in the branch-chained solvents, 2,2 dimethylbutane (neohexane) and squalane, for pressures to 101.3 kPa and temperatures ranging from 213.2 K to 473.2 K. One group¹⁰ measured ethene solubility in a two-component solvent solution. Four groups of researchers, Jadot¹, Lenoir et al.⁷, Ng et al.⁸ and Simon and Lukacs⁹, utilized gas chromatographic techniques, which involve equilibrium at low gas partial pressures so that the values obtained, are not always dependable when extrapolated to a partial pressure of 101.3 kPa. The data of McDaniel, obtained some 81 years ago, have often been questioned because of the technique used, which tends to yield low values of solubility.

There are too few reliable data to define a relationship between the solubility at 298.15 K and the number of carbons in the alkane solvents (C_N). It is noted that the alkanes of carbon number greater than C₁₆ are solids at this temperature. The paucity of solubility data for this class of solvents is particularly apparent; the data consist mainly of single measurements or those supplied by just one research group for any one solvent. Solubility data are available from two or more independent sources only for the solvents hexane and heptane.

Solubility for the individual solvents are now discussed. Equations for interpolating consistent data and the applicable temperature ranges are included where possible.

Pentane; C₅H₁₂; [109-66-0]
Hexane; C₆H₁₄; [110-54-3]

2, 2—Dimethylbutane (neohexane); C₆H₁₄; [75-83-2]

Jadot¹ reported the solubility of ethene in pentane and in hexane at 298.15 K in the form of Henry’s constants. The single value for the solubility in pentane is classified as tentative. Sahgal et al.² measured the solubility of ethene in hexane at 298.15 K. Waters et al.³ provided data for the ethene in hexane at four temperatures in the range of 263.15 K to 293.15 K, and at pressures between 26.7 kPa and 85.8 kPa. Tilquin et al.⁴ provided a single value at 288.15 K, while McDaniel⁵ furnished solubility values at four temperatures, from 295.15 K to 318.15 K. All five sets of data were plotted in the form of log x versus l/T. The data of McDaniel⁵) and the single value of Jadot¹ are about 30% lower than other comparable data, and are consequently rejected. The value of Waters et al. at 293.15 K is about 10% higher than the other data; hence, it too is rejected. Although the graph of these data is not shown, the equation of the line that best fit the data is:

logx₁ = –3.349 + 498.07/(T/K)     for 298 > T/K > 263

(1)

Equation (1) has a coefficient of correlation of 0.9954 and the maximum deviation of the data points from the line is 3.3%, while the average deviation is 1.3%. The remaining data and Eq. (1) are classified as tentative.

Tilquin et al.⁴ reported a single value for the solubility of ethene in neohexane at 288.15 K. Their result is classified as tentative.

Heptane; C₇H₁₆ [142-82-5]

Ethene solubility in heptane were reported by four groups of researchers^1,2,5,6. Three values each were provided by Sahgal et al.² at temperatures from 273.15 K to 323.15 K, and by Leites and Ivanovskii⁶ for temperatures from 213.15 K to 253.15 K. Four solubility were reported by McDaniel⁵ at temperatures from 295.55 K to 312.15 K, while Jadot¹ reported a single value at 298.15 K. All four sets of data were plotted in the form of log x versus l/T, and all points were colinear except for the single value of Jadot¹ which deviated by about 16% (see see Fig.1). Omitting this point, the equation of the line, which best fit the data is:

log x₁ = –3.512 + 542.46/(T/K) for 323 > T/K > 213

(2)

Equation 2 has a correlation coefficient of 0.9988, and the average deviation of the data points from the regression line is 2.7%, while the maximum deviation is 6.0%. Equation 2 may be used to estimate ethene solubility in heptane at temperatures between 213.15 K and 323.15 K and is classified as tentative along with the data on which it is based.

Octane; C₈H₁₈; [111-65-9]
Nonane; C₉H₂₀; [111-84-2]
Decane; C₁OH₂₂; [124-18-5]

Ethene solubility in octane, nonane and decane were reported by Jadot¹. All were single values at 298.15 K. The solubility showed a definite increase with an increase in the chain length of the alkane. These values are classified as tentative.

Dodecane; C₁₂H₂₆; [112-40-3] Hexadecane; C₁₆H₃₄; [544-76-3) Heptadecane; C₁₇H₃₆; [629-78-7]

Sahgal et al.² measured ethene solubility in dedicate at 101.3 kPa pressure and at four temperatures ranging from 263.95 K to 339.15 K. The equation representing these data with deviations of less than 2.5% is:

log x₁= –3.6096 + 582.79/(T/K) for 339 > T/K > 263

(3)

The data for dedicate are classified as tentative. Lenoir et al.⁷ furnished single values for the solubility of ethene in hexadecane as well as heptadecane at 298.15 K, and 323.15 K, respectively. Both values are classified as tentative.

Octadecane; C₁₈H₃₈; [593-45-3]
Eicosane; C₂₀H₄₂; [112-95-8]
Docosane; C₂₂H₄₆; [629-97-0]
Tetracosane, 2, 6,10,15,19,23-hexamethyl (squalane); C₃₀H₆₂; [110-01-3]

Ethene solubility in octadecane, eicosane and docosane were measured by Ng et al.⁸ at 101.3 kPa pressure and at temperatures from 308.2 K to 473.2 K. The three equations, which best represent, the data are:

For octadecane: log x₁ = –3.2173 + 489.061(T/K) for 423 > T/K > 308

(4)

For eicosane: log x₁ = –3.1861 + 479.10/(T/K) for 41-3 > T/K.> 323

(5)

For docosane: log x₁ = –3.1820 + 484.71/(T/K) for 483 > T/K > 333

(6)

All three sets of data are classified as tentative.

Ethene solubility in squalane were reported by Simon and Lukacs⁹ for temperatures between 293.15 K and 333.15 K. It is noted that this C₃₀ hydrocarbon is a liquid at ambient conditions because of its branched structure. The solubility were significantly higher than those measured by Ng et al.⁸ for the C₁₈ - C₂₂ alkanes. The data of Simon and Lukacs⁹ are classified as tentative.

Hexane and dedicate solvent solutions: C₆H₁₄; [110-54-3]; C₁₂H₂₆; [112-40-3]

Sahgal and Hayduk¹⁰ reported ethene solubility in mixtures of hexane and dedicate at 298.15 K. The solubility of ethene was essentially insensitive to the amount of dedicate in the mixture until the mole fraction of dedicate exceeded 0.72. Thereafter, a small increase in solubility was observed. These data are classified as tentative.

Experimental Data:   (Notes on the Nomenclature)

View Figure 1 for this Evaluation

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

   1  Jadot, R., J. Chim. Phys. 1972, 69, 1036-40.
   2  Sahgal, A.; La, H.M.; Hayduk, W., Can. J. Chem. Eng. 1978, 56, 354-357.
   3  Waters, J.A.; Mortimer, G.A.; Clements, H.E., J. Chem. Eng. Data, 1970, 15, 174-176.
   4  Tilquin, B.; Decanniere, L.; Fontaine, R.; Claes, P., Ann. Soc. Sc. Bruxelles (Belgium) 1967, 81, 191-199.
   5  McDaniel, A. S., J. Phys. Chem. 1911, 15, 587-610.
   6  Leites, I.L.; Ivanovskii, F.P., Khim. Prom. 1962, 9, 653-657.
   7  Lenoir, J-Y.; Renault, P.; Renon, H., J. Chem. Eng. Data 1971, 16, 340-2.
   8  Ng. S.; Harris, H.G.; Prausnitz, J.M., J. Chem. Eng. Data 1969, 14, 482-3.
   9  Simon, F.; Lukacs, J., Magy. Asvanyolaj-Foldaz. Intez. Kozl. (Hungary) 1977, 18, 57-66.
   10  Sahgal, A.; Hayduk, W., J. Chem. Eng. Data 1979, 24, 222-227.