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IUPAC-NIST Solubility Database
NIST Standard Reference Database 106
Solubility System:
Ethene with Alcohols; pressures less than 0.2 MPa (2 atm)
Components:
(1) Ethene; C2H4; [74-85-1]
NIST Chemistry WebBook
for detail
(2) Alcohols; pressures less than 0.2 MPa (2 atm); ; []
NIST Chemistry WebBook
for detail
Evaluator:
Walter Hayduk, Department of Chemical Engineering, University of Ottawa, Ottawa, Ontario, Canada, K1N 6N5
June 1992
Critical Evaluation:
Critical Evaluation of Ethene Solubility in Alkanols and Other Alcohols for pressures Less than 0.2 MPa
The solubility of ethene in normal alkanols for a pressure of essentially 101.3 kPa was reported by some seven groups of researchers
1-7
. Only for two of these solvents, for methanol and butanol, were data provided over temperature range greater than 10 K. In addition, ethene solubility is available for 2-propanol
7
, cyclohexanol
8
, dipropylene glycol
9
, phenol
9
and benzyl alcohol
9
. Finally, solubility are available for a two-component solvent solution composed of 1-butanol and 1,2-ethanediol (ethylene glycol)
10
at 298.15 K.
It is useful to test whether the solubility of ethene at one temperature (298.15 K) follows a linear relation in the normal alcohols when plotted as log
x
1
versus log
C
n
where
x
1
is the mole fraction solubility and
C
n
is the number of carbon atoms in each of the alkanols. It was previously found that such a linear relation was obtained for the solubility of ethane
11
and for propane, butane and 2-methylpropane as well
12
. Only three research groups reported ethene solubility in more than one alkanol solvent. Boyer and Bircher
2
provided solubility data for all the alkanols from methanol to 1-octanol at 298.15, Narasimhan
et al
.
4
for ethanol to 1-pentanol and Yano
et al
.
5
provided data for methanol to 1-propanol. These data especially, provide a means for testing the consistency of the data at 298.15 K among three groups.
Figure 1
shows all the available data for ethene solubility at 298.15 K in the alkanols from methanol to 1-octanol as the mole fraction solubility,
x
1
, versus the solvent carbon number on log scales. It may be observed that the data appear consistent except for the solubility in methanol. For this solvent only, the data of Boyer and Bircher
2
appear consistent while that of Narasimhanet
et al
.
4
and Yano
et al
.
5
appear too high by more than 5% whereas the data of Ohgaki
et al
.
3
appear too low by more than 5%. It will be shown subsequently that the data of Boyer and Bircher in methanol are also consistent with the extrapolated data of Hannaert
et al
.
6
and Shenderei
et al
.
1
. The resulting linear relation for the solubility of ethene in the alkanols for a gas partial pressure of 101.3 kPa and a temperature of 298.15 K, excluding the data outside the 5% range mentioned above, and expressed in two ways is:
log
x
1
= 0.5140 log
C
n
– 2,3702
(1)
x
1
= 0.004264
C
n
0.5140
The correlation coefficient for Eq. (1) is 0.9950 and the maximum deviation of the 15 data points from the calculated line is 5%. Based On Eq. (1) the solubility was calculated and is shown in Table 1.
Solubility in the individual solvents is discussed in more detail below.
Methanol; CH
4
O; [67-56-1]
Solubility of ethene in methanol were measured at temperatures from 298.15 K (25 °C) to 217.15 K (–56 °C) but, surprisingly, there are no data above 298.15 K. The low temperature values of Shenderei
et al
.
1
and Hannaert
et al
.
6
as well as that of Boyer and Bircher
2
at 298.15 K are highly consistent and can be represented by the following linear relationship in which
T
is in K and
x
1
is the mole fraction solubility:
log
x
1
= 574.8/ (
T
/K) – 4.284
(2)
The correlation coefficient for the regression line is 0.9992. The values for the ethene solubility in methanol as expressed by Eq. (2) are classified as tentative for the temperature range from 217.15 K to 298.15 K and are shown in Table 2.
Ethanol; C
2
H
6
O; [64-17-5]
The three values of Boyer and Bircher
2
, Narasimhan
et al
.
4
and Yano
et al
.
5
for ethene solubility in ethanol at 298.15 K are within 2% of the average value which corresponds to a mole fraction at an ethene partial pressure of 101.3 kPa of
x
1
= 0.00614. The solubility of Narisamhan
et al
. at 293.15 K is consistent with those at 298.15 K. This solubility is classified as tentative.
Further, if it is assumed that the temperature coefficient of solubility is the same as for methanol, extrapolation to other temperatures may be made using the following equation:
log
x
1
= 574 .8/(
T
/K) – 4.140
(3)
The above equation is not recommended if accurate results are required and for extrapolation to temperatures far from the ambient.
1-Propanol; C
3
H
8
O; [71-23-8]
The three values of Boyer and Bircher
2
, Narasimhan
et al
.
4
and Yano
et al
.
5
for ethene solubility in 1-propanol at 298.15 K are within 3% of the average value which corresponds to a mole fraction at an ethene partial pressure of 101.3 kPa of
x
1
= 0.00737. The solubility of Narisamhan et al., and Boyer and Bircher at 293.15 K, and 308.15 K, respectively, are consistent with those at 298.15 K. This solubility is classified as tentative.
Further, if it is assumed that the temperature coefficient of solubility in 1-propanol is the same as that in 1-butanol (see below), extrapolation to other temperatures may be made using the following equation:
log
x
1
= 543.6/(
T
/K) – 3.956
(4)
The temperature span for 1-propanol alone is insufficient to provide an accurate temperature coefficient of solubility. The above equation is not recommended if accurate data are required outside the temperature range within which experimental results are available.
1-Butanol; C
4
H
10
O; [71-36-3]
Three research groups have contributed to the solubility data for ethene in 1-butanol; these are Narasimhan
et al
.
4
Boyer and Bircher
2
and Sahgal
et al
.
7
. The temperature span of the data, nearly 80 K, permits a reasonably good estimate of the temperature coefficient of solubility. A regression line including the 8 data points yields the following equation with a maximum deviation of 5% and a correlation coefficient of 0.9942:
log
x
1
= 543.6/(
T
/K) – 3.890
(5)
The above equation is considered to be the best available relation for the solubility of ethene in 1-butanol and is classified as tentative for the temperature range for which data are available, that is from 263.95 K to 343.15 K. Solubility calculated by means of Eq. (5) are listed in Table 3.
1-Pentanol; C
5
H
12
O; [71-41-0]
The two values for ethene solubility in 1-pentanol at 298.15 K
2,4
are within 2% of the average value, which corresponds to a mole fraction of
x
1
= 0.0102. The solubility of Narisamhan
et al
.
4
and Boyer and Bircher
2
, at 293.15 K and 308.15 K, respectively, are consistent with those at 298.15 K. This solubility is classified as tentative.
Further, if it is assumed that the temperature coefficient of solubility in 1-pentanol is the same as that in 1-butanol, extrapolation to other temperatures may be made using the following equation:
log
x
1
1= 543.6/ (
T
/K) – 3.185
(6)
While the above equation represents the limited solubility data, it is not recommended if accurate data are required outside the temperature range within which experimental results are available.
1-Hexanol; C
6
H
14
O; [111-27-3]
1-Heptanol; C
7
H
16
O; [110-70-6]
1-Octanol; C
8
H
18
O; [111-87-5]
Only the data of Boyer and Bircher
2
are available for the solubility of ethene at an ethene partial pressure of 101.3 kPa in 1-hexanol, 1-heptanol and 1-octanol at 298.15 K and in the latter solvent at 308.15 K as well. The data of Boyer and Bircher appear entirely consistent with those of other researchers when comparisons are possible. Hence these data are classified as tentative.
Since extrapolation to other temperatures is often required, equations will be provided based on the temperature coefficient of solubility in 1-butanol:
For 1-hexanol:
log
x
1
= 543.61(
T
/K) – 3.794
(7)
For 1-heptanol:
log
x
1
= 543.6/(
T
/K) – 3.755
(8)
For 1-octanol:
log
x
1
= 543.61(
T
/K) –3.718
(9)
It is emphasized that the above equations are approximate only, and are based on few data and uncertain temperature coefficients of solubility.
Figure 2
is shown for three reasons. First it summarizes most of the available data for the solubility of ethene in the normal alcohols at low pressure. Next it emphasizes the scarcity of the data for most temperatures above and below the ambient even in these common solvents. Finally, Fig. 2 shows the diagrammatic representation of the extrapolating equations, Eqs. (2) to (9) that are listed in this Critical Evaluation.
2-Propanol (isopropanol); C
3
H
8
O; [67-63-0]
Ethene solubility in 2-propanol was reported for three temperatures, 273.15 K, 298.15 K and 323.15 K, by Sahgal
et al
.
7
. The solubility in this branch-chained alcohol are some 11% lower than in the straight-chained alcohol, 1-propanol. The temperature span is Sufficient to calculate an equation for interpolating or extrapolating the data:
log
x
1
= 581.7/(
T
/K) – 4.1247
(10)
The above equation should not be considered accurate beyond the temperature range for which it was developed. Calculated values of solubility based on Eq. (10) are listed in Table 4. These data are classified as tentative.
Cyclohexanol; C
6
H
12
O; [108-93-0]
Cauquil’s
8
single value for the ethene solubility in cyclohexanol is rejected for two reasons. It is most unlikely that the solubility in cyclohexanol will be only about one tenth that in 1-hexanol. Also Clever
13
found that the value reported by Cauquil for the solubility of methane in cyclohexanol was only one half that found by reliable researchers.
1,2-Ethanediol (ethylene glycol); C
2
H
5
O
2
; [107-21-1]
Two groups of researchers measured the solubility of ethene in 1,2-ethanediol. These were Sahgal
et al
.
7
at 298.15 K and Hannaert
et al
.
6
at 303.15 K. The value of Hannaert
et al
. is less than half that of Sahgal
et al
., a most unlikely reduction in solubility for an increase in temperature of 5 K. Since the work was conducted under my supervision, I am aware of the care that was taken to ensure saturation of this viscous solvent and, therefore, believe the higher solubility to be correct. The value of Hannaert
et al
. was measured by a gas chromatographic method that in many instances has been subject to errors. The former value is classified as tentative.
2,2- [1,2 Ethanediylbis (oxy) ] bis-ethanol, (triethylene glycol); C
6
H
14
O
4
; [112-27-6]
The solubility of ethene in triethylene glycol was measured by Hannaert
et al
. for a temperature of 303.15 K. There is some doubt as to the accuracy of the chromatographic method used by these workers (see above) for viscous solvents, but no real comparison is possible in this Benzenemethanol (benzyl alcohol); C
7
H
8
O; case. Therefore, the value reported is classified as tentative.
Propanol, oxybis-, (Dipropylene glycol); C
6
H
14
O
3
; [25265-71-8]
Phenol; C
6
H
6
O; [108-95-2]
Benzenemethanol (benzyl alcohol); C
7
H
8
O; [100-51-6]
Lenoir
et al
.
9
reported ethene solubility data for the solvents oxybispropanol, phenol and benzenemethanol. Their method of measurement involved gas chromatography at very low gas partial pressures with the result that extrapolation of the data to pressures in the order of 101.3 kPa is considered to involve significant errors. Because there are not other comparable results,these data are classified as tentative.
1-Butanol and l,2-Ethanediol (ethylene glycol) solutions; C
4
H
10
O; [71-36-3] and C
2
H
5
O
2
; [107-21-1]
Sahgal and Hayduk
10
reported solubility of ethene at 101.3 kPa pressure at 298.15 K in the two-component solvent solutions composed of 1-butanol and 1,2-ethanediol (ethylene glycol). All compositions from pure 1-butanol to pure 1,2-ethanediol were used. These results are consistent with those for the pure solvents and are classified as tentative.
Experimental Data:
(Notes on the Nomenclature)
Table 1: Calculated solubility of ethene in the alkanols at 298.15 K and 101.3 kPa partial pressure.
T/K
Chemical Name
Mole Fraction (x
1
)
Remark(s)
298.15
Methanol
0.00426
No. of Carbons: (C
)=1
298.15
Ethanol
0.00609
(C
)=2
298.15
Proponal
0.00750
(C
)=3
298.15
Butanol
0.00869
(C
)=4
298.15
Pentanol
0.00975
(C
)=5
298.15
Hexanol
0.0107
(C
)=6
298.15
Heptanol
0.0116
(C
)=7
298.15
Octanol
0.0124
(C
)=8
Table 2: Calculated values for mole fraction solubility of ethene in methanol
t/°C
T/K
Mole Fraction (x
1
)
25
298.15
0.00440
20
293.15
0.00475
10
283.15
0.00557
0
273.15
0.00661
−10
263.15
0.00795
−20
253.15
0.00970
−30
243.15
0.0120
−40
233.15
0.0152
−50
223.15
0.0196
Table 3: Ethene solubilities in 1-butanol for a gas partial pressure
t/°C
T/K
Mole Fraction (x
1
)
−10
263.15
0.0150
0
273.15
0.0126
10
283.15
0.0107
20
293.15
0.00921
25
298.15
0.00858
30
303.15
0.00800
40
313.15
0.00701
50
323.15
0.00620
60
333.15
0.00552
70
343.15
0.00495
Table 4: Ethene solubilities in 2-propanol for a gas partial pressure of 101.3 kPa as calculated using Eq. (1)
t/°C
T/K
Mole Fraction (x
1
)
0
273.15
0.0101
10
283.15
0.00851
20
293.15
0.00724
25
298.15
0.00671
30
303.15
0.00623
40
313.15
0.00541
50
323.15
0.00474
View Figure 1 for this Evaluation
View Figure 2 for this Evaluation
References: (Click a link to see its experimental data associated with the reference)
1
Shenderei, E.R.; Zel ' venskii, Ya.D.; Ivanovskii, F.P., Russian J. Appl. Chem. 1962, 35, 669-672. (Zhur. Prikl. Khim., 690-693.)
2
Boyer, F. L.; Bircher, L. J., J. Phys. Chem. 1960, 64, 1330 - 1331.
3
Ohgaki, K.; Nishii, H.; Katayama, T., J. Chem. Eng. (Japan) 1983, 16, 72-73.
4
Narasimhan, S.; Natarajan, G.S.; Nageshwar, G.D., Indian J. Technol. 1981, 19, 298-299.
5
Yano, T.; Kidaka, T.; Miyamoto, H.; Murakami, T., Proc. Soc. Chem. Engrs, Japan (Osaka), Oct. 14, 1968, 89-90.
6
Hannaert, H.; Haccuria, M.; Mathieu, M.P., Ind. Chim. Belge 1967, 32, 156-164.
7
Sahgal, A.; La, H.M.; Hayduk, W., Can. J. Chem. Eng. 1978, 56, 354-357.
8
Cauguil, G., J. Chim. Phys. 1927, 24, 53-55.
9
Lenoir, J-Y.; Renault, P.; Renon, H., J. Chem. Eng. Data 1971, 16, 340-2.
10
Sahgal, A.; Hayduk, W., J. Chem. Eng. Data 1979, 24, 222-227.
11
Hayduk, W., Ed. PROPANE, BUTANE AND METHYLPROPANE, Solubility Data Series, 1986, Vol. 24, 231, Pergamon Press Ltd., Oxford and New York.
12
Hayduk, W., Ed. PROPANE, BUTANE AND METHYLPROPANE, Solubility Data Series, 1986, Vol. 24, 231, Pergamon Press Ltd., Oxford and New York.
13
Clever, H. L.; Young, C. L.; Eds. METHANE, Solubility Data Series, 1987, Vol. 27/28, 637, Pergamon Press Ltd., Oxford and New York.