IUPAC-NIST Solubilities Database

IUPAC-NIST Solubility Database
NIST Standard Reference Database 106

Solubility System: Pentane with Water

Components:
   (1) Water; H2O; [7732-18-5]  NIST Chemistry WebBook for detail
   (2) Pentane; C5H12; [109-66-0]  NIST Chemistry WebBook for detail

Evaluator:
   G.T. Hefter, School of Mathematical and Physical Sciences, Murdoch University, Perth, W.A., Australia. October 1984.

Critical Evaluation:

   Quantitative solubility data for the pentane (1) – water (2) system have been reported in the references listed in Table 1.

Solubility data for pentane in water may also be calculated from the calorimetric data of Gill et al. (ref 12). Apart from the work of Scheffer (ref 2) and Roof (ref 18) which did not contain sufficient information to justify inclusion, and Wishnia (ref 5) who reported only graphical information, all the original measurements in the references listed in Table 1 are compiled in the Data Sheets immediately following this Critical Evaluation.

As indicated in the footnote to Table 1, quantitative solubility data for pentane in water at elevated pressures have been reported in the papers by Namiot and Beider (ref 4) and Connolly (ref 7). Since these studies were not carried out under comparable conditions no critical evaluation of their reliability can be made and the interested user is referred to the original measurements in the relevant Data Sheets. Connolly (ref 7) reports an upper critical solution temperature of 624K at 34 MPa whilst Roof (ref 18) reports a three phase critical equilibrium point at 464K and 658 psia (4.5 MPa).

In the Tables which follow, solubilities obtained by the Evaluator by graphical interpolation of the original measurements in the Data Sheets are indicated by an asterisk (*). “Best” values have been obtained by simple averaging. 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.

For convenience, further discussion of the solubility data for this system will be divided into two parts.

1. THE SOLUBILITY OF PENTANE (1) IN WATER (2)

Only five studies (ref 9,10,11,13,17) report the solubility of pentane in water as a function of temperature. The data of Nelson and DeLigny (ref 9), Polak and Lu (ref 11), Price (ref 12) and Jonsson et al. (ref 17) are in good agreement with each other given the analytical difficulties at the low concentrations involved. However, the solubilities of Pierotti and Liabastre (ref 10) are approximately twice as high as the other studies (ref 9,11,13,17). Since Pierotti and Liabastre’s data are also markedly higher than all other values at 298K (ref 6,8,9,11,13,16,17) and are generally higher than “Recommended” values for well-characterized systems (e.g. benzene in water), their results are rejected.

The data of Fuhner (ref 1) at 298K and Korenman and Aref’eva (ref 14) at 293K are also markedly higher than all other values and are therefore rejected. The data of Krzyzanowska and Szeliga (ref 15) do not appear to be independent of those of Price (ref 13) and have therefore been excluded from this Critical Evaluation. All other data are included in Table 2.

As is obvious from Table 2, the solubilities at temperatures other than 298K are mainly those of Price (ref 13) and in the absence of confirmatory studies can only be regarded as tentative. However, the agreement with other studies at 298K, as noted above, is quite good and, furthermore, application of the van’t Hoff equation to the data listed in Table 2 gives ΔH^∞_s1n = -4.72 kJ mo1^-1 and ΔC^∞_p,sln = 379 JK^-1 mo1^-1 which agree will with the calorimetrically determined values (ref 12) of –2.0 ± 0.2 kJ mo1^-1 and 400 ± 70 JK^-1 mol^-1. Thus some confidence can be placed in the “best” values. Selected data are plotted in Figure 1 .

2. THE SOLUBILITY OF WATER (2) IN PENTANE (1)

The solubility of water in pentane has been reported only by Black et al. (ref 3) and Polak and Lu (ref 11). Their results are mutually consistent but in the absence of confirmatory data they must be considered as “Tentative” only. The data are listed in Table 3 and plotted in Figure 2 .

Experimental Data:   (Notes on the Nomenclature)

Table 1. Quantitative Solubility Studies of the Pentane (1) - Water (2) System
Author	T/K	T/KNote	Reference	Solubility	Method
Fühner	289	-	1	(1) in (2)	titration
Black et al.	279-298	-	3	(2) in (1)	radiotracer
Namiot and Beider	293-345	a	4	(1) in (2)	gas-liq. Equilibrium
Wishnia	263-308	-	5	(1) in (2)	radiotracer
Barone et al.	298	-	6	(1) in (2)	GLC
Connolly	573-625	a	7	(1) in (2)	cloud point
McAuliffe	298	-	8	(1) in (2)	GLC
Nelson and DeLigny	277-303	-	9	(1) in (2)	GLC
Pierotti and Liabastre	278-308	-	10	(1) in (2)	GLC
Polak and Lu	273, 298	-	11	mutual	GLC, Karl Fischer
Price	298-423	-	13	(1) in (2)	GLC
Korenman and Aref'eva	293	-	14	(1) in (2)	titration
Krzyzanowska and Szeliga	298	-	15	(1) in (2)	GLC
Rudakov and Lutsyk	298	-	16	(1) in (2)	partition coefficient
Jonsson et al.	288-308	-	17	(1) in (2)	partition coefficient

Table 2. Recommended (R) and Tentative Values of the Solubility of Pentane (1) in Water (2)
T/K	Reference	Sol. Power	Solubility	Best Sol. Power	Best Solubility	x₁ Power	x₁
273	11	3	6.57 g(1)/100g sln	3	6.6 g(1)/100g sln	5	1.7
283	9	3	4.29 g(1)/100g sln	3	4.3 g(1)/100g sln	5	1.1
293	9, 17	3	3.93, 4.14 g(1)/100g sln	3	4.0 ± 0.1 (R) g(1)/100g sln	5	1.0 (R)
298	6, 8, 9, 11, 13, 16, 17	3	4.97, 3.85, 4.05, 4.76, 3.95, 4.06, 4.06 g(1)/100g sln	3	4.2 ± 0.4 g(1)/100g sln	5	1.1
303	9, 13, 17	3	4.05, 4.1, 4.03 g(1)/100g sln	3	4.1 ± 0.1 (R) g(1)/100g sln	5	1.0 (R)
313	13	3	3.98* g(1)/100g sln	3	4.0 g(1)/100g sln	5	1.0
323	13	3	4.1* g(1)/100g sln	3	4.1 g(1)/100g sln	5	1.0
333	13	3	4.3* g(1)/100g sln	3	4.3 g(1)/100g sln	5	1.1
343	13	3	4.6* g(1)/100g sln	3	4.6 g(1)/100g sln	5	1.2
353	13	3	5.0* g(1)/100g sln	3	5.0 g(1)/100g sln	5	1.3
363	13	3	5.8* g(1)/100g sln	3	5.8 g(1)/100g sln	5	1.5
383	13	3	8.6* g(1)/100g sln	3	8.6 g(1)/100g sln	5	2.2
403	13	3	15.0* g(1)/100g sln	3	15 g(1)/100g sln	5	3.8
423	13	3	30.3* g(1)/100g sln	3	30 g(1)/100g sln	5	7.5

Table 3. Tentative Values of the Solubility of Water (2) in Pentane (1)
T/K	Reference	Sol. Power	Solubility	Best Sol. Power	Best Solubility	x₂ Power	x₂
273	11	3	2.6 g(2)/100 g sln	-	-	-	-
283	3	3	4.2* g(2)/100 g sln	-	-	-	-
293	3	3	8.5* g(2)/100 g sln	-	-	-	-
298	3, 11	3	12.2*, 10.1 g(2)/100 g sln	3	11 ± 1 g(2)/100 g sln	5	4.4

View Figure 1 for this Evaluation

View Figure 2 for this Evaluation

Notes:
Table 1^a  Pressure also varied.

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

   1  Fühner, H., Ber. Dtsch. Chem. Ges. 1924, 57, 510-15.
   2  Scheffer, F.E.C., Proc. Roy. Acad. Amsterdam 1914, 17, 834.
   3  Black, C.; Joris, G.G.; Taylor, H.S., J. Chem. Phys. 1948, 16, 537-43.
   4  Namiot, A.Yu.; Bender, S. Ya. Khim. Tekhnol. Topl. Nasel 1960, 7, 52-5.
   5  Wishnia, A., J. Phys. Chem. 1963, 67, 2079.
   6  Barone, G.; Crescenzi, V.; Pispisa, B.; Quadrifoglio, F., J. Macromol. Chem. 1966, 1, 761-71.
   7  Connolly, J.F., J. Chem. Eng. Data 1966, 11, 13-6.
   8  McAuliffe, C., J. Phys. Chem. 1966, 70, 1267-75.
   9  Nelson, H.D.; De Ligny, C.L., Rec. Trav. Chim. Pays-Bas 1968, 87, 528-44.
   10  Pierotti, R.A.; Liabastre, A.A., "Structure and properties of water solutions." U.S. Nat. Tech. Inform. Serv., PB Rep., 1972, No. 21163, 113 p.
   11  Polak, J.; Lu, B.C.Y., Can. J. Chem. 1973, 51, 4018-23.
   12  Gill, S.J.; Nichols, N.F.; Wadso, I. J., Chem. Thermodyn. 1976, 8, 445-52.
   13  Price, L.C., Am. Assoc. Petrol. Geol. Bull. 1976, 60, 213-44.
   14  Korenman, I.M.; Aref'eva, R.P., Patent USSR, 553 524, 1977.04.05 C.A. 87:87654.
   15  Krzyzanowska, T.; Szeliga, J., Nafta (Katowice) 1978, 12, 413-7.
   16  Rudakov, E.S.; Lutsyk, A.I., Zh. Fiz. Khim. 1979, 53, 1298-1300.
   17  Jonsson, J.A.; Vejrosta, J.; Novak, J., Fluid Phase Equil. 1982, 9, 279-86.
   18  Roof, J.G., J. Chem. Eng. Data 1970, 15, 301-3.